N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide

C14H23N3OS — CID 71868470

IUPACN-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide
SMILESCc1ncc(CNC(=O)N2CCC(C(C)C)CC2)s1
InChIInChI=1S/C14H23N3OS/c1-10(2)12-4-6-17(7-5-12)14(18)16-9-13-8-15-11(3)19-13/h8,10,12H,4-7,9H2,1-3H3,(H,16,18)
InChIKeyOOETXJIGTYFSLE-UHFFFAOYSA-N
MW281.42 g/mol
LogP3.03
Rot. Bonds3

About N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide

N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide (PubChem CID 71868470) has the molecular formula C14H23N3OS and a molecular weight of 281.42 g/mol. Its IUPAC name is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide
PubChem CID71868470
Molecular FormulaC14H23N3OS
Molecular Weight281.42 g/mol
Exact Mass281.16
IUPAC NameN-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide
SMILESCc1ncc(CNC(=O)N2CCC(C(C)C)CC2)s1
InChIInChI=1S/C14H23N3OS/c1-10(2)12-4-6-17(7-5-12)14(18)16-9-13-8-15-11(3)19-13/h8,10,12H,4-7,9H2,1-3H3,(H,16,18)
InChIKeyOOETXJIGTYFSLE-UHFFFAOYSA-N
XLogP3.03
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.42
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(1-Cyclopentylpiperidin-4-yl)-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 72106165
3-[1-(1,3-thiazol-5-ylmethyl)piperidin-4-yl]-1H-imidazol-2-one
CID 134795506
1-[4-[(2-Tert-butyl-1,3-thiazol-5-yl)methylamino]-3-ethylpiperidin-1-yl]propan-1-one
CID 71927393
1-[(2-Ethyl-1,3-thiazol-5-yl)methyl]-1-methyl-3-prop-2-enylurea
CID 72020272
N-[[2-(2-Methylpropyl)-1,3-thiazol-5-yl]methyl]-4-prop-2-ynylpiperazine-1-carboxamide
CID 84591656
4-ethyl-4-(hydroxymethyl)-N-[[2-(2-methylpropyl)-1,3-thiazol-5-yl]methyl]piperidine-1-carboxamide
CID 84594743
1-Methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]-3-prop-2-ynylurea
CID 132283311
N-[1-[(2-cyclopentyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]acetamide
CID 132287399
(4S)-3,3-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 99827606
(4R)-3,3-dimethyl-N-[2-(5-methyl-1,3-thiazol-2-yl)ethyl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 99827607
(4S)-3,3-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 99827695
(4R)-3,3-dimethyl-N-[(5-methyl-1,3-thiazol-2-yl)methyl]-4-(trifluoromethyl)piperidine-1-carboxamide
CID 99827696

Frequently Asked Questions

What is the IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide?
The IUPAC name of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide (CID 71868470) is N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide?
The canonical SMILES for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide is Cc1ncc(CNC(=O)N2CCC(C(C)C)CC2)s1.
What is the InChIKey of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide?
The InChIKey is OOETXJIGTYFSLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-10(2)12-4-6-17(7-5-12)14(18)16-9-13-8-15-11(3)19-13/h8,10,12H,4-7,9H2,1-3H3,(H,16,18).
What are the key properties of N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide?
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide has a molecular weight of 281.42 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-propan-2-ylpiperidine-1-carboxamide is sourced from PubChem (CID 71868470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).