2-methylsulfanyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]-1,3-thiazole-4-carboxamide

C13H15N3OS2 — CID 99949923

IUPAC2-methylsulfanyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCSc1nc(C(=O)N[C@H](C)Cc2cccnc2)cs1
InChIInChI=1S/C13H15N3OS2/c1-9(6-10-4-3-5-14-7-10)15-12(17)11-8-19-13(16-11)18-2/h3-5,7-9H,6H2,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyDCOUWTZHHOJFBG-SECBINFHSA-N
MW293.42 g/mol
LogP2.62
Rot. Bonds5

About 2-methylsulfanyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]-1,3-thiazole-4-carboxamide

2-methylsulfanyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]-1,3-thiazole-4-carboxamide (PubChem CID 99949923) has the molecular formula C13H15N3OS2 and a molecular weight of 293.42 g/mol. Its IUPAC name is 2-methylsulfanyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-methylsulfanyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]-1,3-thiazole-4-carboxamide
PubChem CID99949923
Molecular FormulaC13H15N3OS2
Molecular Weight293.42 g/mol
Exact Mass293.07
IUPAC Name2-methylsulfanyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]-1,3-thiazole-4-carboxamide
SMILESCSc1nc(C(=O)N[C@H](C)Cc2cccnc2)cs1
InChIInChI=1S/C13H15N3OS2/c1-9(6-10-4-3-5-14-7-10)15-12(17)11-8-19-13(16-11)18-2/h3-5,7-9H,6H2,1-2H3,(H,15,17)/t9-/m1/s1
InChIKeyDCOUWTZHHOJFBG-SECBINFHSA-N
XLogP2.62
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-methylsulfanyl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyridine-3-carboxamide
CID 99927418
2-amino-N-(1-phenylpropan-2-yl)-1,3-thiazole-4-carboxamide
CID 63010937
2-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 110694215
2-propan-2-yl-N-[(2S)-1-pyridin-3-ylpropan-2-yl]pyrazole-3-carboxamide
CID 126443700
5-[(2,6-difluorophenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 42465328
2-ethyl-N-(1-pyridin-3-ylpropan-2-yl)pyridine-4-carboxamide
CID 90653792
4-chloro-N-(1-pyridin-3-ylpropan-2-yl)butanamide
CID 82110099
2-oxo-N-(1-pyridin-3-ylpropan-2-yl)chromene-3-carboxamide
CID 171388211
5-[(2,6-dimethylphenoxy)methyl]-N-[(2S)-1-pyridin-3-ylpropan-2-yl]-1,2-oxazole-3-carboxamide
CID 42291545
5-[(3-methoxyphenoxy)methyl]-N-(1-pyridin-3-ylpropan-2-yl)-1,2-oxazole-3-carboxamide
CID 45202237
3-(1H-pyrazol-4-yl)-N-(1-pyridin-3-ylpropan-2-yl)propanamide
CID 131916256
2-anilino-N-(pyridin-3-ylmethyl)-1,3-thiazole-4-carboxamide
CID 30860119

Frequently Asked Questions

What is the IUPAC name of 2-methylsulfanyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-methylsulfanyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]-1,3-thiazole-4-carboxamide (CID 99949923) is 2-methylsulfanyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-methylsulfanyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-methylsulfanyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]-1,3-thiazole-4-carboxamide is CSc1nc(C(=O)N[C@H](C)Cc2cccnc2)cs1.
What is the InChIKey of 2-methylsulfanyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is DCOUWTZHHOJFBG-SECBINFHSA-N. The full InChI is InChI=1S/C13H15N3OS2/c1-9(6-10-4-3-5-14-7-10)15-12(17)11-8-19-13(16-11)18-2/h3-5,7-9H,6H2,1-2H3,(H,15,17)/t9-/m1/s1.
What are the key properties of 2-methylsulfanyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]-1,3-thiazole-4-carboxamide?
2-methylsulfanyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 293.42 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylsulfanyl-N-[(2R)-1-pyridin-3-ylpropan-2-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 99949923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).