2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide

C21H22FN5O4S2 — CID 138673739

IUPAC2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide
SMILESCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1
InChIInChI=1S/C21H22FN5O4S2/c1-21(2,17-11-32-20(26-17)27-33(29,30)13-5-6-13)19(28)25-15-7-4-12(8-14(15)22)16-9-23-10-18(24-16)31-3/h4,7-11,13H,5-6H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyMIHMGAVBZMWUFW-UHFFFAOYSA-N
MW491.57 g/mol
LogP3.57
Rot. Bonds8

About 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide

2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide (PubChem CID 138673739) has the molecular formula C21H22FN5O4S2 and a molecular weight of 491.57 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide
PubChem CID138673739
Molecular FormulaC21H22FN5O4S2
Molecular Weight491.57 g/mol
Exact Mass491.11
IUPAC Name2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide
SMILESCOc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1
InChIInChI=1S/C21H22FN5O4S2/c1-21(2,17-11-32-20(26-17)27-33(29,30)13-5-6-13)19(28)25-15-7-4-12(8-14(15)22)16-9-23-10-18(24-16)31-3/h4,7-11,13H,5-6H2,1-3H3,(H,25,28)(H,26,27)
InChIKeyMIHMGAVBZMWUFW-UHFFFAOYSA-N
XLogP3.57
TPSA123.17 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.57
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(2-cyclopropanesulfonamido-1,3-thiazol-4-yl)-2-methyl-N-{5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl}propanamide
CID 138674003
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide
CID 138673588
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(2-fluoro-4-pyridin-3-ylphenyl)-2-methylpropanamide
CID 138673630
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-4-ylphenyl)acetamide
CID 138673742
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[5-(trifluoromethyl)pyridin-3-yl]phenyl]-2-methylpropanamide
CID 138673770
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-3-ylphenyl)acetamide
CID 138673842
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-[6-(trifluoromethyl)pyrazin-2-yl]phenyl]-2-methylpropanamide
CID 138673996
Ctps1-IN-1
CID 152139448
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-(4-pyridin-2-ylphenyl)acetamide
CID 171358520
2-[6-(cyclopropylsulfonylamino)-2-pyridinyl]-N-[4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide
CID 139509975
[2-[(3-Fluorophenyl)methylcarbamoylamino]-1,3-thiazol-4-yl]-(5-methoxypyrazin-2-yl)methanesulfinate
CID 91805136
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-ethyl-N-[5-[6-(trifluoromethyl)pyrazin-2-yl]pyridin-2-yl]butanamide
CID 138673472

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide?
The IUPAC name of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide (CID 138673739) is 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide is COc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NS(=O)(=O)C4CC4)n3)c(F)c2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide?
The InChIKey is MIHMGAVBZMWUFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN5O4S2/c1-21(2,17-11-32-20(26-17)27-33(29,30)13-5-6-13)19(28)25-15-7-4-12(8-14(15)22)16-9-23-10-18(24-16)31-3/h4,7-11,13H,5-6H2,1-3H3,(H,25,28)(H,26,27).
What are the key properties of 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide?
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide has a molecular weight of 491.57 g/mol, XLogP of 3.57, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(6-methoxypyrazin-2-yl)phenyl]-2-methylpropanamide is sourced from PubChem (CID 138673739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).