[(2S)-2-methyl-4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone

C14H17N5OS — CID 146092459

IUPAC[(2S)-2-methyl-4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1nccc(N2CCN(C(=O)c3cscn3)[C@@H](C)C2)n1
InChIInChI=1S/C14H17N5OS/c1-10-7-18(13-3-4-15-11(2)17-13)5-6-19(10)14(20)12-8-21-9-16-12/h3-4,8-10H,5-7H2,1-2H3/t10-/m0/s1
InChIKeyRWPQINMEYJHSGK-JTQLQIEISA-N
MW303.39 g/mol
LogP1.59
Rot. Bonds2

About [(2S)-2-methyl-4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone

[(2S)-2-methyl-4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone (PubChem CID 146092459) has the molecular formula C14H17N5OS and a molecular weight of 303.39 g/mol. Its IUPAC name is [(2S)-2-methyl-4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-methyl-4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
PubChem CID146092459
Molecular FormulaC14H17N5OS
Molecular Weight303.39 g/mol
Exact Mass303.12
IUPAC Name[(2S)-2-methyl-4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
SMILESCc1nccc(N2CCN(C(=O)c3cscn3)[C@@H](C)C2)n1
InChIInChI=1S/C14H17N5OS/c1-10-7-18(13-3-4-15-11(2)17-13)5-6-19(10)14(20)12-8-21-9-16-12/h3-4,8-10H,5-7H2,1-2H3/t10-/m0/s1
InChIKeyRWPQINMEYJHSGK-JTQLQIEISA-N
XLogP1.59
TPSA62.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2S)-2-methyl-4-(4-methylquinazolin-2-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 146108957
[(2S)-2-methyl-4-(5-methyl-1-pyridin-2-ylpyrazole-4-carbonyl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 136582634
[(2S)-2-methyl-4-[(E)-2-methyl-3-phenylprop-2-enyl]piperazin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 136582472
4-methyl-1-(2-methylpyrimidin-4-yl)piperidin-3-ol
CID 103896105
2-methyl-4-[(3S)-3-methylpiperazin-1-yl]pyrimidine
CID 94586892
(4-hydroxyphenyl)-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 84588350
[(3S)-3-methylpyrrolidin-1-yl]-(1,3-thiazol-4-yl)methanone
CID 143704110
[4-(4-ethyl-1,3-thiazole-5-carbonyl)-3-methylpiperazin-1-yl]-(2-methylpyrimidin-4-yl)methanone
CID 166398308
(3-hydroxyphenyl)-[2-methyl-4-(6-methyl-2-pyridinyl)piperazin-1-yl]methanone
CID 86785861
tert-butyl (2R)-4-(2-tert-butylpyrimidin-4-yl)-2-methylpiperazine-1-carboxylate
CID 133499466
N-methyl-6-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]pyridazine-3-carboxamide
CID 133458571
furan-2-yl-[4-(2-methylpyrimidin-4-yl)piperazin-1-yl]methanone
CID 171130326

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-methyl-4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The IUPAC name of [(2S)-2-methyl-4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone (CID 146092459) is [(2S)-2-methyl-4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-methyl-4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-methyl-4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone is Cc1nccc(N2CCN(C(=O)c3cscn3)[C@@H](C)C2)n1.
What is the InChIKey of [(2S)-2-methyl-4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
The InChIKey is RWPQINMEYJHSGK-JTQLQIEISA-N. The full InChI is InChI=1S/C14H17N5OS/c1-10-7-18(13-3-4-15-11(2)17-13)5-6-19(10)14(20)12-8-21-9-16-12/h3-4,8-10H,5-7H2,1-2H3/t10-/m0/s1.
What are the key properties of [(2S)-2-methyl-4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone?
[(2S)-2-methyl-4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone has a molecular weight of 303.39 g/mol, XLogP of 1.59, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-methyl-4-(2-methylpyrimidin-4-yl)piperazin-1-yl]-(1,3-thiazol-4-yl)methanone is sourced from PubChem (CID 146092459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).