[4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone

C16H18N4OS2 — CID 110110951

IUPAC[4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESCc1nc(C2(C)CCN(C(=O)c3cncs3)CC2)c2sccn12
InChIInChI=1S/C16H18N4OS2/c1-11-18-13(15-20(11)7-8-22-15)16(2)3-5-19(6-4-16)14(21)12-9-17-10-23-12/h7-10H,3-6H2,1-2H3
InChIKeyKMTDARDKEVLMBR-UHFFFAOYSA-N
MW346.48 g/mol
LogP3.35
Rot. Bonds2

About [4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone

[4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone (PubChem CID 110110951) has the molecular formula C16H18N4OS2 and a molecular weight of 346.48 g/mol. Its IUPAC name is [4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone.

Molecular Properties

Compound Name[4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
PubChem CID110110951
Molecular FormulaC16H18N4OS2
Molecular Weight346.48 g/mol
Exact Mass346.09
IUPAC Name[4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
SMILESCc1nc(C2(C)CCN(C(=O)c3cncs3)CC2)c2sccn12
InChIInChI=1S/C16H18N4OS2/c1-11-18-13(15-20(11)7-8-22-15)16(2)3-5-19(6-4-16)14(21)12-9-17-10-23-12/h7-10H,3-6H2,1-2H3
InChIKeyKMTDARDKEVLMBR-UHFFFAOYSA-N
XLogP3.35
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.48
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-pyridin-2-ylmethanone
CID 110110222
N-methyl-5-[4-methyl-1-(1,3-thiazole-5-carbonyl)piperidin-4-yl]-1H-pyrazole-4-carboxamide
CID 95848717
[(4S,5S)-4,5-dihydroxy-1-oxa-9-azaspiro[5.5]undecan-9-yl]-(1,3-thiazol-5-yl)methanone
CID 163317334
5-methyl-7-[(3R)-3-methyl-1-(2-methylpropyl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole
CID 125000800
5-methyl-7-[(3S)-3-methyl-1-(2-methylpropyl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole
CID 125000799
8-(1,3-thiazole-5-carbonyl)-2,8-diazaspiro[4.5]decan-3-one
CID 113246543
1-[(4R)-4-hydroxy-3,3-dimethyl-9-(1,3-thiazole-5-carbonyl)-2,9-diazaspiro[5.5]undecan-2-yl]ethanone
CID 124962828
5-methyl-7-[(3S)-3-methyl-1-(6-methylpyrimidin-4-yl)piperidin-3-yl]imidazo[5,1-b][1,3]thiazole
CID 124946402
[(3R)-3-(4-fluoro-N-methylanilino)-1-oxa-8-azaspiro[4.5]decan-8-yl]-(1,3-thiazol-5-yl)methanone
CID 124991511
1,3-thiazol-5-yl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 73439229
[4-(2-methylpyrimidin-4-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 95828534
[(3S)-3-(5-methylimidazo[1,5-c]pyrimidin-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone
CID 124999399

Frequently Asked Questions

What is the IUPAC name of [4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The IUPAC name of [4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone (CID 110110951) is [4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone.
What is the SMILES notation for [4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The canonical SMILES for [4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone is Cc1nc(C2(C)CCN(C(=O)c3cncs3)CC2)c2sccn12.
What is the InChIKey of [4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
The InChIKey is KMTDARDKEVLMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4OS2/c1-11-18-13(15-20(11)7-8-22-15)16(2)3-5-19(6-4-16)14(21)12-9-17-10-23-12/h7-10H,3-6H2,1-2H3.
What are the key properties of [4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone?
[4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone has a molecular weight of 346.48 g/mol, XLogP of 3.35, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methyl-4-(5-methylimidazo[5,1-b][1,3]thiazol-7-yl)piperidin-1-yl]-(1,3-thiazol-5-yl)methanone is sourced from PubChem (CID 110110951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).