2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]propanamide

C22H26N6O3S2 — CID 138701191

IUPAC2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]propanamide
SMILESCC(C)Oc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NS(=O)C4CC4)n3)nc2)n1
InChIInChI=1S/C22H26N6O3S2/c1-13(2)31-19-11-23-10-16(25-19)14-5-8-18(24-9-14)27-20(29)22(3,4)17-12-32-21(26-17)28-33(30)15-6-7-15/h5,8-13,15H,6-7H2,1-4H3,(H,26,28)(H,24,27,29)
InChIKeyDPNNXIXBETWBLE-UHFFFAOYSA-N
MW486.62 g/mol
LogP3.94
Rot. Bonds9

About 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]propanamide

2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]propanamide (PubChem CID 138701191) has the molecular formula C22H26N6O3S2 and a molecular weight of 486.62 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]propanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]propanamide
PubChem CID138701191
Molecular FormulaC22H26N6O3S2
Molecular Weight486.62 g/mol
Exact Mass486.15
IUPAC Name2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]propanamide
SMILESCC(C)Oc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NS(=O)C4CC4)n3)nc2)n1
InChIInChI=1S/C22H26N6O3S2/c1-13(2)31-19-11-23-10-16(25-19)14-5-8-18(24-9-14)27-20(29)22(3,4)17-12-32-21(26-17)28-33(30)15-6-7-15/h5,8-13,15H,6-7H2,1-4H3,(H,26,28)(H,24,27,29)
InChIKeyDPNNXIXBETWBLE-UHFFFAOYSA-N
XLogP3.94
TPSA118.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.62
LogP ≤ 53.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-(6-propoxypyrazin-2-yl)phenyl]propanamide
CID 155733973
N-[4-(6-cyanopyrazin-2-yl)phenyl]-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138701239
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-[5-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide
CID 138701429
N-[5-(5-chloro-3-pyridinyl)-3-fluoro-2-pyridinyl]-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138701333
2-[2-(cyclobutylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-(4-pyridin-3-ylphenyl)propanamide
CID 138701461
N-(2-chloro-4-pyridin-3-ylphenyl)-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138701389
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-pyridin-3-yl-2-(trifluoromethoxy)phenyl]propanamide
CID 138701158
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-[2-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide
CID 138701509
N-[4-(6-ethoxypyrazin-2-yl)phenyl]-2-methyl-2-[2-(2-methylpropylsulfanylamino)-1,3-thiazol-4-yl]propanamide
CID 138701240
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)-2-pyridinyl]-2-methylpropanamide
CID 138673909
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-(dimethylamino)-N-[4-(6-ethoxypyrazin-2-yl)phenyl]acetamide
CID 155379041
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-[6-(trifluoromethyl)-2-pyridinyl]-2-pyridinyl]propanamide
CID 138673738

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]propanamide?
The IUPAC name of 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]propanamide (CID 138701191) is 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]propanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]propanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]propanamide is CC(C)Oc1cncc(-c2ccc(NC(=O)C(C)(C)c3csc(NS(=O)C4CC4)n3)nc2)n1.
What is the InChIKey of 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]propanamide?
The InChIKey is DPNNXIXBETWBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N6O3S2/c1-13(2)31-19-11-23-10-16(25-19)14-5-8-18(24-9-14)27-20(29)22(3,4)17-12-32-21(26-17)28-33(30)15-6-7-15/h5,8-13,15H,6-7H2,1-4H3,(H,26,28)(H,24,27,29).
What are the key properties of 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]propanamide?
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]propanamide has a molecular weight of 486.62 g/mol, XLogP of 3.94, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]propanamide is sourced from PubChem (CID 138701191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).