[(3S)-3-(5-methylimidazo[1,5-c]pyrimidin-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone

C16H17N5OS — CID 124999399

IUPAC[(3S)-3-(5-methylimidazo[1,5-c]pyrimidin-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESCc1nc([C@H]2CCCN(C(=O)c3cncs3)C2)cc2cncn12
InChIInChI=1S/C16H17N5OS/c1-11-19-14(5-13-6-17-9-21(11)13)12-3-2-4-20(8-12)16(22)15-7-18-10-23-15/h5-7,9-10,12H,2-4,8H2,1H3/t12-/m0/s1
InChIKeyRORQTSHUNLRBPL-LBPRGKRZSA-N
MW327.41 g/mol
LogP2.51
Rot. Bonds2

About [(3S)-3-(5-methylimidazo[1,5-c]pyrimidin-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone

[(3S)-3-(5-methylimidazo[1,5-c]pyrimidin-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 124999399) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is [(3S)-3-(5-methylimidazo[1,5-c]pyrimidin-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(5-methylimidazo[1,5-c]pyrimidin-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID124999399
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name[(3S)-3-(5-methylimidazo[1,5-c]pyrimidin-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESCc1nc([C@H]2CCCN(C(=O)c3cncs3)C2)cc2cncn12
InChIInChI=1S/C16H17N5OS/c1-11-19-14(5-13-6-17-9-21(11)13)12-3-2-4-20(8-12)16(22)15-7-18-10-23-15/h5-7,9-10,12H,2-4,8H2,1H3/t12-/m0/s1
InChIKeyRORQTSHUNLRBPL-LBPRGKRZSA-N
XLogP2.51
TPSA63.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-(5-methylimidazo[1,5-c]pyrimidin-7-yl)piperidin-1-yl]propan-1-one
CID 110131584
5-methyl-7-(1-pyrimidin-4-ylpiperidin-3-yl)imidazo[1,5-c]pyrimidine
CID 110131586
[(3S)-3-(1,4-dimethylimidazol-2-yl)pyrrolidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124944117
[3-(1H-benzimidazol-2-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 110258767
(6-methoxynaphthalen-2-yl)-[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone
CID 26390778
(6-methoxynaphthalen-2-yl)-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methanone
CID 24791502
[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 95828534
[(2S)-2-(4,6-dimethylpyrimidin-2-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 124971089
1-[1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]piperidin-2-one
CID 166186927
(5-methyl-1,2-oxazol-4-yl)-[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methanone;[(3S)-3-(3-phenoxy-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 159792245
piperidin-1-yl-[(2S)-1-(1,3-thiazole-5-carbonyl)pyrrolidin-2-yl]methanone
CID 118766603
N-[[(3R)-1-(1,3-thiazole-5-carbonyl)piperidin-3-yl]methyl]naphthalene-1-carboxamide
CID 26320170

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(5-methylimidazo[1,5-c]pyrimidin-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [(3S)-3-(5-methylimidazo[1,5-c]pyrimidin-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone (CID 124999399) is [(3S)-3-(5-methylimidazo[1,5-c]pyrimidin-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [(3S)-3-(5-methylimidazo[1,5-c]pyrimidin-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [(3S)-3-(5-methylimidazo[1,5-c]pyrimidin-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone is Cc1nc([C@H]2CCCN(C(=O)c3cncs3)C2)cc2cncn12.
What is the InChIKey of [(3S)-3-(5-methylimidazo[1,5-c]pyrimidin-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is RORQTSHUNLRBPL-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-11-19-14(5-13-6-17-9-21(11)13)12-3-2-4-20(8-12)16(22)15-7-18-10-23-15/h5-7,9-10,12H,2-4,8H2,1H3/t12-/m0/s1.
What are the key properties of [(3S)-3-(5-methylimidazo[1,5-c]pyrimidin-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
[(3S)-3-(5-methylimidazo[1,5-c]pyrimidin-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 327.41 g/mol, XLogP of 2.51, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S)-3-(5-methylimidazo[1,5-c]pyrimidin-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 124999399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).