N-[[4-(cyclopropylsulfinylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)-2,3-dihydro-1,3-thiazole-2-carboxamide

C19H22N6O3S2 — CID 169251414

IUPACN-[[4-(cyclopropylsulfinylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)-2,3-dihydro-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(C2=CNC(C(=O)NCc3cc(NS(=O)C4CC4)ccn3)S2)n1
InChIInChI=1S/C19H22N6O3S2/c1-2-28-17-11-20-9-15(24-17)16-10-23-19(29-16)18(26)22-8-13-7-12(5-6-21-13)25-30(27)14-3-4-14/h5-7,9-11,14,19,23H,2-4,8H2,1H3,(H,21,25)(H,22,26)
InChIKeyRXPRPYVGVQCOPR-UHFFFAOYSA-N
MW446.56 g/mol
LogP1.79
Rot. Bonds9

About N-[[4-(cyclopropylsulfinylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)-2,3-dihydro-1,3-thiazole-2-carboxamide

N-[[4-(cyclopropylsulfinylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)-2,3-dihydro-1,3-thiazole-2-carboxamide (PubChem CID 169251414) has the molecular formula C19H22N6O3S2 and a molecular weight of 446.56 g/mol. Its IUPAC name is N-[[4-(cyclopropylsulfinylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)-2,3-dihydro-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylsulfinylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)-2,3-dihydro-1,3-thiazole-2-carboxamide
PubChem CID169251414
Molecular FormulaC19H22N6O3S2
Molecular Weight446.56 g/mol
Exact Mass446.12
IUPAC NameN-[[4-(cyclopropylsulfinylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)-2,3-dihydro-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(C2=CNC(C(=O)NCc3cc(NS(=O)C4CC4)ccn3)S2)n1
InChIInChI=1S/C19H22N6O3S2/c1-2-28-17-11-20-9-15(24-17)16-10-23-19(29-16)18(26)22-8-13-7-12(5-6-21-13)25-30(27)14-3-4-14/h5-7,9-11,14,19,23H,2-4,8H2,1H3,(H,21,25)(H,22,26)
InChIKeyRXPRPYVGVQCOPR-UHFFFAOYSA-N
XLogP1.79
TPSA118.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.56
LogP ≤ 51.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze N-[[4-(cyclopropylsulfinylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)-2,3-dihydro-1,3-thiazole-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(cyclopropylsulfinylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;3,4-dimethylmorpholine
CID 169251680
N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-(6-ethoxypyrazin-2-yl)-1,3-oxazole-5-carboxamide
CID 163271841
2-[2-(cyclopropylsulfinylamino)pyrimidin-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-fluorophenyl]-3-methylbutanamide
CID 155733935
N-[[4-(difluoromethylsulfonylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)pyridine-2-carboxamide
CID 163270971
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-(dimethylamino)-N-[4-(6-ethoxypyrazin-2-yl)phenyl]acetamide
CID 155379041
3-[(dimethylamino)methyl]-5-(6-ethoxypyrazin-2-yl)-N-[(4-methyl-2-pyridinyl)methyl]pyridine-2-carboxamide;methylcyclopropane;molecular hydrogen
CID 163271973
5-[6-(3-cyclopropylbutoxy)pyrazin-2-yl]-N-[1-[4-(cyclopropylsulfinylamino)-2-pyridinyl]-2-(3-hydroxypyrrolidin-1-yl)ethyl]-1,3-thiazole-2-carboxamide;5-(6-ethoxypyrazin-2-yl)-N-[2-(3-methylpyrrolidin-1-yl)-1-[4-(sulfanylamino)-2-pyridinyl]ethyl]-1,3-thiazole-2-carboxamide
CID 169251434
N-cyclopropylsulfanyl-2-(methylaminomethyl)pyridin-4-amine;N,N-dimethylcyclobutanamine;5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carbaldehyde
CID 163271905
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-[4-(6-ethoxypyrazin-2-yl)-2-(trifluoromethoxy)phenyl]-2-methoxyacetamide
CID 155733998
N-[[4-(cyclopropylsulfonylamino)-2-pyridinyl]methyl]-5-(6-methoxypyrazin-2-yl)pyridine-2-carboxamide
CID 163271317
5-(6-ethoxypyrazin-2-yl)thiophene-2-carboxylic acid
CID 163271647
N-[2-[[5-(6-ethoxypyrazin-2-yl)pyrazolo[3,4-c]pyridin-1-yl]methyl]-4-pyridinyl]cyclopropanesulfonamide
CID 167386361

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylsulfinylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)-2,3-dihydro-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[[4-(cyclopropylsulfinylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)-2,3-dihydro-1,3-thiazole-2-carboxamide (CID 169251414) is N-[[4-(cyclopropylsulfinylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)-2,3-dihydro-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[[4-(cyclopropylsulfinylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)-2,3-dihydro-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[[4-(cyclopropylsulfinylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)-2,3-dihydro-1,3-thiazole-2-carboxamide is CCOc1cncc(C2=CNC(C(=O)NCc3cc(NS(=O)C4CC4)ccn3)S2)n1.
What is the InChIKey of N-[[4-(cyclopropylsulfinylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)-2,3-dihydro-1,3-thiazole-2-carboxamide?
The InChIKey is RXPRPYVGVQCOPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3S2/c1-2-28-17-11-20-9-15(24-17)16-10-23-19(29-16)18(26)22-8-13-7-12(5-6-21-13)25-30(27)14-3-4-14/h5-7,9-11,14,19,23H,2-4,8H2,1H3,(H,21,25)(H,22,26).
What are the key properties of N-[[4-(cyclopropylsulfinylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)-2,3-dihydro-1,3-thiazole-2-carboxamide?
N-[[4-(cyclopropylsulfinylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)-2,3-dihydro-1,3-thiazole-2-carboxamide has a molecular weight of 446.56 g/mol, XLogP of 1.79, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylsulfinylamino)-2-pyridinyl]methyl]-5-(6-ethoxypyrazin-2-yl)-2,3-dihydro-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 169251414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).