N-[[3-(cyclopropylsulfonylamino)-2,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide

C20H19F2N5O4S2 — CID 163271542

IUPACN-[[3-(cyclopropylsulfonylamino)-2,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2cnc(C(=O)NCc3cc(F)cc(NS(=O)(=O)C4CC4)c3F)s2)n1
InChIInChI=1S/C20H19F2N5O4S2/c1-2-31-17-10-23-8-15(26-17)16-9-25-20(32-16)19(28)24-7-11-5-12(21)6-14(18(11)22)27-33(29,30)13-3-4-13/h5-6,8-10,13,27H,2-4,7H2,1H3,(H,24,28)
InChIKeyJHPWBUASPNQMAO-UHFFFAOYSA-N
MW495.53 g/mol
LogP3.11
Rot. Bonds9

About N-[[3-(cyclopropylsulfonylamino)-2,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide

N-[[3-(cyclopropylsulfonylamino)-2,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (PubChem CID 163271542) has the molecular formula C20H19F2N5O4S2 and a molecular weight of 495.53 g/mol. Its IUPAC name is N-[[3-(cyclopropylsulfonylamino)-2,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.

Molecular Properties

Compound NameN-[[3-(cyclopropylsulfonylamino)-2,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
PubChem CID163271542
Molecular FormulaC20H19F2N5O4S2
Molecular Weight495.53 g/mol
Exact Mass495.08
IUPAC NameN-[[3-(cyclopropylsulfonylamino)-2,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
SMILESCCOc1cncc(-c2cnc(C(=O)NCc3cc(F)cc(NS(=O)(=O)C4CC4)c3F)s2)n1
InChIInChI=1S/C20H19F2N5O4S2/c1-2-31-17-10-23-8-15(26-17)16-9-25-20(32-16)19(28)24-7-11-5-12(21)6-14(18(11)22)27-33(29,30)13-3-4-13/h5-6,8-10,13,27H,2-4,7H2,1H3,(H,24,28)
InChIKeyJHPWBUASPNQMAO-UHFFFAOYSA-N
XLogP3.11
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.53
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251008
N-[2-(azetidin-1-yl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide;molecular hydrogen;N-pyridin-4-ylcyclopropanesulfonamide
CID 163271128
N-[(1S)-1-[3-(cyclopentylsulfonylamino)-2,6-difluorophenyl]-3-(dimethylamino)propyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 170549048
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-[(1S)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-pyrrolidin-1-ylethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 163271184
N-[(1R)-2-(azetidin-1-yl)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 167035138
N-[1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-3-(dimethylamino)-3-methylbutyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 169251294
N-[(1R)-3-(cyclopropylamino)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]propyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 176871327
N-[(1R)-1-[4-(cyclopropylsulfonylamino)-2-pyridinyl]-2-(2-oxo-1-pyridinyl)ethyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide
CID 176871282
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

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopropylsulfonylamino)-2,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The IUPAC name of N-[[3-(cyclopropylsulfonylamino)-2,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide (CID 163271542) is N-[[3-(cyclopropylsulfonylamino)-2,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide.
What is the SMILES notation for N-[[3-(cyclopropylsulfonylamino)-2,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The canonical SMILES for N-[[3-(cyclopropylsulfonylamino)-2,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is CCOc1cncc(-c2cnc(C(=O)NCc3cc(F)cc(NS(=O)(=O)C4CC4)c3F)s2)n1.
What is the InChIKey of N-[[3-(cyclopropylsulfonylamino)-2,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
The InChIKey is JHPWBUASPNQMAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5O4S2/c1-2-31-17-10-23-8-15(26-17)16-9-25-20(32-16)19(28)24-7-11-5-12(21)6-14(18(11)22)27-33(29,30)13-3-4-13/h5-6,8-10,13,27H,2-4,7H2,1H3,(H,24,28).
What are the key properties of N-[[3-(cyclopropylsulfonylamino)-2,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide?
N-[[3-(cyclopropylsulfonylamino)-2,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide has a molecular weight of 495.53 g/mol, XLogP of 3.11, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopropylsulfonylamino)-2,5-difluorophenyl]methyl]-5-(6-ethoxypyrazin-2-yl)-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 163271542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).