N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboxamide

C13H21N3OS — CID 116656098

IUPACN,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboxamide
SMILESCc1ncsc1CN(C)C(=O)N1CCCC(C)C1
InChIInChI=1S/C13H21N3OS/c1-10-5-4-6-16(7-10)13(17)15(3)8-12-11(2)14-9-18-12/h9-10H,4-8H2,1-3H3
InChIKeyMQUOFLYIXNXGKT-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.74
Rot. Bonds2

About N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboxamide

N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboxamide (PubChem CID 116656098) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboxamide
PubChem CID116656098
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboxamide
SMILESCc1ncsc1CN(C)C(=O)N1CCCC(C)C1
InChIInChI=1S/C13H21N3OS/c1-10-5-4-6-16(7-10)13(17)15(3)8-12-11(2)14-9-18-12/h9-10H,4-8H2,1-3H3
InChIKeyMQUOFLYIXNXGKT-UHFFFAOYSA-N
XLogP2.74
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[4-[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]carbamoyl]morpholin-2-yl]acetic acid
CID 66433341
N-[(4-bromothiophen-2-yl)methyl]-N,3-dimethylpiperidine-1-carboxamide
CID 79160058
3-cyclohexyl-1-methyl-1-[(4-methyl-1,3-thiazol-5-yl)methyl]urea
CID 115619023
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]acetamide
CID 63821575
2-methyl-1-[(3S)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]propan-1-one
CID 129400908
N-(furan-2-ylmethyl)-N,3-dimethylpiperidine-1-carboxamide
CID 116654269
1-(aminomethyl)-N,4-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclohexane-1-carboxamide
CID 115442195
1-[4-(dimethylamino)azepan-1-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 56899647
4-amino-N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]cyclopent-2-ene-1-carboxamide
CID 79208489
N-methyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-piperidin-3-ylacetamide
CID 63836900
N,3-dimethyl-N-[2-(methylamino)ethyl]piperidine-1-carboxamide
CID 79163646
[(3S)-3-[[methyl-[(4-methyl-1,3-thiazol-5-yl)methyl]amino]methyl]pyrrolidin-1-yl]-(5-methyl-1,3-oxazol-4-yl)methanone
CID 129400860

Frequently Asked Questions

What is the IUPAC name of N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboxamide?
The IUPAC name of N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboxamide (CID 116656098) is N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboxamide.
What is the SMILES notation for N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboxamide?
The canonical SMILES for N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboxamide is Cc1ncsc1CN(C)C(=O)N1CCCC(C)C1.
What is the InChIKey of N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboxamide?
The InChIKey is MQUOFLYIXNXGKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10-5-4-6-16(7-10)13(17)15(3)8-12-11(2)14-9-18-12/h9-10H,4-8H2,1-3H3.
What are the key properties of N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboxamide?
N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,3-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]piperidine-1-carboxamide is sourced from PubChem (CID 116656098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).