2-[(3S)-1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]piperidin-3-yl]-4-propan-2-yl-1,3-thiazole

C15H24N6S — CID 124868150

IUPAC2-[(3S)-1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]piperidin-3-yl]-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc([C@H]2CCCN([C@H](C)c3nnnn3C)C2)n1
InChIInChI=1S/C15H24N6S/c1-10(2)13-9-22-15(16-13)12-6-5-7-21(8-12)11(3)14-17-18-19-20(14)4/h9-12H,5-8H2,1-4H3/t11-,12+/m1/s1
InChIKeyNZJOQYCRVFAQPK-NEPJUHHUSA-N
MW320.47 g/mol
LogP2.73
Rot. Bonds4

About 2-[(3S)-1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]piperidin-3-yl]-4-propan-2-yl-1,3-thiazole

2-[(3S)-1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]piperidin-3-yl]-4-propan-2-yl-1,3-thiazole (PubChem CID 124868150) has the molecular formula C15H24N6S and a molecular weight of 320.47 g/mol. Its IUPAC name is 2-[(3S)-1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]piperidin-3-yl]-4-propan-2-yl-1,3-thiazole.

Molecular Properties

Compound Name2-[(3S)-1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]piperidin-3-yl]-4-propan-2-yl-1,3-thiazole
PubChem CID124868150
Molecular FormulaC15H24N6S
Molecular Weight320.47 g/mol
Exact Mass320.18
IUPAC Name2-[(3S)-1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]piperidin-3-yl]-4-propan-2-yl-1,3-thiazole
SMILESCC(C)c1csc([C@H]2CCCN([C@H](C)c3nnnn3C)C2)n1
InChIInChI=1S/C15H24N6S/c1-10(2)13-9-22-15(16-13)12-6-5-7-21(8-12)11(3)14-17-18-19-20(14)4/h9-12H,5-8H2,1-4H3/t11-,12+/m1/s1
InChIKeyNZJOQYCRVFAQPK-NEPJUHHUSA-N
XLogP2.73
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 53016835
2-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-thiophen-3-ylacetic acid
CID 136550586
(3S)-N-methyl-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 95991014
4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]butanoic acid
CID 119138147
(1-aminocyclopropyl)-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]methanone;dihydrochloride
CID 119893096
2-cyclobutyl-4-(1-piperazin-1-ylethyl)-1,3-thiazole
CID 116891617
4-[3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidine-1-carbonyl]benzoic acid
CID 119186414
1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-2-(2,2,2-trifluoroethylamino)ethanone
CID 95777712
2-(6-methyl-3-pyridinyl)-1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]ethanone
CID 95777723
(2S)-2-imidazol-1-yl-1-[(3R)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95777649
(2S)-2-imidazol-1-yl-1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]propan-1-one
CID 95777650
1-[(3S)-3-(4-propan-2-yl-1,3-thiazol-2-yl)piperidin-1-yl]-3-pyridin-2-ylpropan-1-one
CID 95777652

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]piperidin-3-yl]-4-propan-2-yl-1,3-thiazole?
The IUPAC name of 2-[(3S)-1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]piperidin-3-yl]-4-propan-2-yl-1,3-thiazole (CID 124868150) is 2-[(3S)-1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]piperidin-3-yl]-4-propan-2-yl-1,3-thiazole.
What is the SMILES notation for 2-[(3S)-1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]piperidin-3-yl]-4-propan-2-yl-1,3-thiazole?
The canonical SMILES for 2-[(3S)-1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]piperidin-3-yl]-4-propan-2-yl-1,3-thiazole is CC(C)c1csc([C@H]2CCCN([C@H](C)c3nnnn3C)C2)n1.
What is the InChIKey of 2-[(3S)-1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]piperidin-3-yl]-4-propan-2-yl-1,3-thiazole?
The InChIKey is NZJOQYCRVFAQPK-NEPJUHHUSA-N. The full InChI is InChI=1S/C15H24N6S/c1-10(2)13-9-22-15(16-13)12-6-5-7-21(8-12)11(3)14-17-18-19-20(14)4/h9-12H,5-8H2,1-4H3/t11-,12+/m1/s1.
What are the key properties of 2-[(3S)-1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]piperidin-3-yl]-4-propan-2-yl-1,3-thiazole?
2-[(3S)-1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]piperidin-3-yl]-4-propan-2-yl-1,3-thiazole has a molecular weight of 320.47 g/mol, XLogP of 2.73, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(1R)-1-(1-methyltetrazol-5-yl)ethyl]piperidin-3-yl]-4-propan-2-yl-1,3-thiazole is sourced from PubChem (CID 124868150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).