(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide

C12H14N4OS2 — CID 27241479

IUPAC(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cc(S[C@H](C)C(=O)Nc2nc(C)cs2)ncn1
InChIInChI=1S/C12H14N4OS2/c1-7-4-10(14-6-13-7)19-9(3)11(17)16-12-15-8(2)5-18-12/h4-6,9H,1-3H3,(H,15,16,17)/t9-/m1/s1
InChIKeyJSBBAGMQNXIAAJ-SECBINFHSA-N
MW294.41 g/mol
LogP2.67
Rot. Bonds4

About (2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide

(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide (PubChem CID 27241479) has the molecular formula C12H14N4OS2 and a molecular weight of 294.41 g/mol. Its IUPAC name is (2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
PubChem CID27241479
Molecular FormulaC12H14N4OS2
Molecular Weight294.41 g/mol
Exact Mass294.06
IUPAC Name(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
SMILESCc1cc(S[C@H](C)C(=O)Nc2nc(C)cs2)ncn1
InChIInChI=1S/C12H14N4OS2/c1-7-4-10(14-6-13-7)19-9(3)11(17)16-12-15-8(2)5-18-12/h4-6,9H,1-3H3,(H,15,16,17)/t9-/m1/s1
InChIKeyJSBBAGMQNXIAAJ-SECBINFHSA-N
XLogP2.67
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.41
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-2-(4,8-dimethylquinolin-2-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 42345164
(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-phenylpropanamide
CID 1408751
(2R)-N-(4-hydroxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
CID 42345492
(2R)-N-(5-chloro-2-methylphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
CID 42353215
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304864
2-(2,5-dichlorophenyl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 47267214
N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-2-(6-methylpyrimidin-4-yl)sulfanylbutanamide
CID 46304773
ethyl 2-[2-[2-(6-methylpyrimidin-4-yl)sulfanylbutanoylamino]-1,3-thiazol-4-yl]acetate
CID 46304781
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(6-phenylpyrimidin-4-yl)sulfanylpropanamide
CID 46304865
(2S)-N-(2-ethoxyphenyl)-2-(6-methylpyrimidin-4-yl)sulfanylpropanamide
CID 1408761
methyl 3-[[(2R)-2-(6-methylpyrimidin-4-yl)sulfanylpropanoyl]amino]benzoate
CID 42345515
2-(1H-benzimidazol-2-ylsulfanyl)-N-(4-methyl-1,3-thiazol-2-yl)propanamide
CID 23886514

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The IUPAC name of (2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide (CID 27241479) is (2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for (2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The canonical SMILES for (2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide is Cc1cc(S[C@H](C)C(=O)Nc2nc(C)cs2)ncn1.
What is the InChIKey of (2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
The InChIKey is JSBBAGMQNXIAAJ-SECBINFHSA-N. The full InChI is InChI=1S/C12H14N4OS2/c1-7-4-10(14-6-13-7)19-9(3)11(17)16-12-15-8(2)5-18-12/h4-6,9H,1-3H3,(H,15,16,17)/t9-/m1/s1.
What are the key properties of (2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide?
(2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide has a molecular weight of 294.41 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6-methylpyrimidin-4-yl)sulfanyl-N-(4-methyl-1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 27241479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).