2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-[5-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide

C20H22N6O3S2 — CID 138701429

IUPAC2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-[5-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide
SMILESCOc1cncc(-c2cnc(NC(=O)C(C)(C)c3csc(NS(=O)C4CC4)n3)nc2)c1
InChIInChI=1S/C20H22N6O3S2/c1-20(2,16-11-30-19(24-16)26-31(28)15-4-5-15)17(27)25-18-22-8-13(9-23-18)12-6-14(29-3)10-21-7-12/h6-11,15H,4-5H2,1-3H3,(H,24,26)(H,22,23,25,27)
InChIKeyDDZZPOAFOTWQOH-UHFFFAOYSA-N
MW458.57 g/mol
LogP3.16
Rot. Bonds8

About 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-[5-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide

2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-[5-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide (PubChem CID 138701429) has the molecular formula C20H22N6O3S2 and a molecular weight of 458.57 g/mol. Its IUPAC name is 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-[5-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide.

Molecular Properties

Compound Name2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-[5-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide
PubChem CID138701429
Molecular FormulaC20H22N6O3S2
Molecular Weight458.57 g/mol
Exact Mass458.12
IUPAC Name2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-[5-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide
SMILESCOc1cncc(-c2cnc(NC(=O)C(C)(C)c3csc(NS(=O)C4CC4)n3)nc2)c1
InChIInChI=1S/C20H22N6O3S2/c1-20(2,16-11-30-19(24-16)26-31(28)15-4-5-15)17(27)25-18-22-8-13(9-23-18)12-6-14(29-3)10-21-7-12/h6-11,15H,4-5H2,1-3H3,(H,24,26)(H,22,23,25,27)
InChIKeyDDZZPOAFOTWQOH-UHFFFAOYSA-N
XLogP3.16
TPSA118.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.57
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

N-[5-(5-chloro-3-pyridinyl)-3-fluoro-2-pyridinyl]-2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methylpropanamide
CID 138701333
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-(6-propoxypyrazin-2-yl)phenyl]propanamide
CID 155733973
2-[2-(cyclopropylsulfanylamino)-1,3-thiazol-4-yl]-N-[5-(5-fluoro-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide
CID 138701449
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-[5-(6-propan-2-yloxypyrazin-2-yl)-2-pyridinyl]propanamide
CID 138701191
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-2-methyl-N-[4-pyridin-3-yl-2-(trifluoromethoxy)phenyl]propanamide
CID 138701158
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]-2-methyl-N-[4-[2-(trifluoromethyl)-3-pyridinyl]phenyl]propanamide
CID 138701509
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]-N-[4-(6-ethoxypyrazin-2-yl)-2-(trifluoromethoxy)phenyl]-2-methoxyacetamide
CID 155733998
3-[2-(cyclopropylsulfonylmethyl)pyrimidin-4-yl]-1-[4-(5-methoxy-3-pyridinyl)phenyl]-3-methylbutan-2-one
CID 161477458
2-[2-(cyclopropylsulfonylamino)-1,3-thiazol-4-yl]-N-[2-fluoro-4-(5-fluoro-3-pyridinyl)phenyl]-2-methylpropanamide
CID 138673862

Frequently Asked Questions

What is the IUPAC name of 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-[5-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide?
The IUPAC name of 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-[5-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide (CID 138701429) is 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-[5-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide.
What is the SMILES notation for 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-[5-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide?
The canonical SMILES for 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-[5-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide is COc1cncc(-c2cnc(NC(=O)C(C)(C)c3csc(NS(=O)C4CC4)n3)nc2)c1.
What is the InChIKey of 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-[5-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide?
The InChIKey is DDZZPOAFOTWQOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O3S2/c1-20(2,16-11-30-19(24-16)26-31(28)15-4-5-15)17(27)25-18-22-8-13(9-23-18)12-6-14(29-3)10-21-7-12/h6-11,15H,4-5H2,1-3H3,(H,24,26)(H,22,23,25,27).
What are the key properties of 2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-[5-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide?
2-[2-(cyclopropylsulfinylamino)-1,3-thiazol-4-yl]-N-[5-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide has a molecular weight of 458.57 g/mol, XLogP of 3.16, 8 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]-N-[5-(5-methoxy-3-pyridinyl)pyrimidin-2-yl]-2-methylpropanamide is sourced from PubChem (CID 138701429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).