N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide

C16H25N3OS — CID 95968029

IUPACN-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)C1CCN(C(=O)N[C@H](c2nccs2)C2CC2)CC1
InChIInChI=1S/C16H25N3OS/c1-11(2)12-5-8-19(9-6-12)16(20)18-14(13-3-4-13)15-17-7-10-21-15/h7,10-14H,3-6,8-9H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyRZZVAIDULYJARM-AWEZNQCLSA-N
MW307.46 g/mol
LogP3.67
Rot. Bonds4

About N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide

N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide (PubChem CID 95968029) has the molecular formula C16H25N3OS and a molecular weight of 307.46 g/mol. Its IUPAC name is N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide
PubChem CID95968029
Molecular FormulaC16H25N3OS
Molecular Weight307.46 g/mol
Exact Mass307.17
IUPAC NameN-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide
SMILESCC(C)C1CCN(C(=O)N[C@H](c2nccs2)C2CC2)CC1
InChIInChI=1S/C16H25N3OS/c1-11(2)12-5-8-19(9-6-12)16(20)18-14(13-3-4-13)15-17-7-10-21-15/h7,10-14H,3-6,8-9H2,1-2H3,(H,18,20)/t14-/m0/s1
InChIKeyRZZVAIDULYJARM-AWEZNQCLSA-N
XLogP3.67
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.46
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-cyclopropyl-N-[cyclopropyl(1,3-thiazol-2-yl)methyl]piperazine-1-carboxamide
CID 75375387
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 71922979
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-5,8-difluoro-3,4-dihydro-1H-isoquinoline-2-carboxamide
CID 97012993
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]-4-(2-phenoxyethyl)piperazine-1-carboxamide
CID 126784853
2-[4-[acetamido(1,3-thiazol-2-yl)methyl]piperidin-1-yl]acetamide
CID 110090225
N-[(R)-[1-(2-methylpyrimidin-4-yl)piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 124989644
1-cyclopropyl-3-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-1-[(2S)-3-methylbutan-2-yl]urea
CID 97048827
N-[1-(1,3-thiazol-2-yl)propyl]piperidine-1-carboxamide
CID 115642007
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1S)-1-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 96518570
1-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-3-[(1R,3R)-3-methylcyclohexyl]urea
CID 100895196
N-[(S)-[1-[2-(methanesulfonamido)benzoyl]piperidin-4-yl]-(1,3-thiazol-2-yl)methyl]acetamide
CID 95854293
N-[cyclopropyl(1,3-thiazol-2-yl)methyl]cyclopentanamine
CID 115724082

Frequently Asked Questions

What is the IUPAC name of N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide (CID 95968029) is N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide is CC(C)C1CCN(C(=O)N[C@H](c2nccs2)C2CC2)CC1.
What is the InChIKey of N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is RZZVAIDULYJARM-AWEZNQCLSA-N. The full InChI is InChI=1S/C16H25N3OS/c1-11(2)12-5-8-19(9-6-12)16(20)18-14(13-3-4-13)15-17-7-10-21-15/h7,10-14H,3-6,8-9H2,1-2H3,(H,18,20)/t14-/m0/s1.
What are the key properties of N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide?
N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 307.46 g/mol, XLogP of 3.67, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-cyclopropyl(1,3-thiazol-2-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 95968029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).