N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide

C21H22N6O2S2 — CID 169251274

IUPACN-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2cnc(C(=O)NC3(c4cc(NSC5CC5)ccn4)CC3)s2)n1
InChIInChI=1S/C21H22N6O2S2/c1-2-29-18-12-22-10-15(25-18)16-11-24-20(30-16)19(28)26-21(6-7-21)17-9-13(5-8-23-17)27-31-14-3-4-14/h5,8-12,14H,2-4,6-7H2,1H3,(H,23,27)(H,26,28)
InChIKeySBULPBQBTDRRRF-UHFFFAOYSA-N
MW454.58 g/mol
LogP4.04
Rot. Bonds9

About N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide

N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (PubChem CID 169251274) has the molecular formula C21H22N6O2S2 and a molecular weight of 454.58 g/mol. Its IUPAC name is N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
PubChem CID169251274
Molecular FormulaC21H22N6O2S2
Molecular Weight454.58 g/mol
Exact Mass454.12
IUPAC NameN-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2cnc(C(=O)NC3(c4cc(NSC5CC5)ccn4)CC3)s2)n1
InChIInChI=1S/C21H22N6O2S2/c1-2-29-18-12-22-10-15(25-18)16-11-24-20(30-16)19(28)26-21(6-7-21)17-9-13(5-8-23-17)27-31-14-3-4-14/h5,8-12,14H,2-4,6-7H2,1H3,(H,23,27)(H,26,28)
InChIKeySBULPBQBTDRRRF-UHFFFAOYSA-N
XLogP4.04
TPSA101.92 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500454.58
LogP ≤ 54.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

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

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Related Compounds

N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-2-(4-methylpiperazin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 163271787
N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]-2-(3-fluoroazetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 163271764
N-[(S)-cyclobutyl-(4-methyl-2-pyridinyl)methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 163271720
N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251008
N-cyclopropylsulfanyl-2-(methylaminomethyl)pyridin-4-amine;N,N-dimethylcyclobutanamine;5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carbaldehyde
CID 163271905
N-[[4-(cyclopropylsulfanylamino)-2-pyridinyl]methyl]-2-(6-ethoxypyrazin-2-yl)-1,3-oxazole-5-carboxamide
CID 163271841
N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-hydroxyethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251532
N-[(1R,2R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxypropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169250988
N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-methoxyethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 163271767
N-[2-(2-azaspiro[3.3]heptan-2-yl)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251617
N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-(dimethylamino)-3-methylbutyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251294
N-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-pyrrolidin-1-ylethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 163271184

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (CID 169251274) is N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is CCOc1cncc(-c2cnc(C(=O)NC3(c4cc(NSC5CC5)ccn4)CC3)s2)n1.
What is the InChIKey of N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is SBULPBQBTDRRRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O2S2/c1-2-29-18-12-22-10-15(25-18)16-11-24-20(30-16)19(28)26-21(6-7-21)17-9-13(5-8-23-17)27-31-14-3-4-14/h5,8-12,14H,2-4,6-7H2,1H3,(H,23,27)(H,26,28).
What are the key properties of N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 454.58 g/mol, XLogP of 4.04, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(cyclopropylsulfanylamino)-2-pyridinyl]cyclopropyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 169251274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).