N-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide

C13H21N3OS — CID 106629024

IUPACN-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)N(CC1CCCNC1)C(=O)c1cscn1
InChIInChI=1S/C13H21N3OS/c1-10(2)16(7-11-4-3-5-14-6-11)13(17)12-8-18-9-15-12/h8-11,14H,3-7H2,1-2H3
InChIKeyZKXPCVKHHDDCFM-UHFFFAOYSA-N
MW267.40 g/mol
LogP1.99
Rot. Bonds4

About N-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide

N-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide (PubChem CID 106629024) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
PubChem CID106629024
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide
SMILESCC(C)N(CC1CCCNC1)C(=O)c1cscn1
InChIInChI=1S/C13H21N3OS/c1-10(2)16(7-11-4-3-5-14-6-11)13(17)12-8-18-9-15-12/h8-11,14H,3-7H2,1-2H3
InChIKeyZKXPCVKHHDDCFM-UHFFFAOYSA-N
XLogP1.99
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(piperidin-3-ylmethyl)-N-propan-2-ylthiadiazole-4-carboxamide
CID 106628888
3-chloro-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 106629031
4,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylthiophene-2-carboxamide
CID 106628858
1,5-dimethyl-N-(piperidin-3-ylmethyl)-N-propan-2-ylpyrrole-2-carboxamide
CID 106628957
N-(piperidin-3-ylmethyl)-N-propan-2-ylcyclobutanecarboxamide
CID 106629002
N-(piperidin-3-ylmethyl)-N-propan-2-ylthieno[3,2-b]thiophene-5-carboxamide
CID 106629058
3-cyclohexyl-1-(piperidin-3-ylmethyl)-1-propan-2-ylurea
CID 106629886
benzyl N-[[(3R)-piperidin-3-yl]methyl]-N-propan-2-ylcarbamate
CID 96555678
3-bromo-2-fluoro-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
CID 107956383
3-cyano-N-(piperidin-3-ylmethyl)-N-propan-2-ylbenzamide
CID 106628943
N-(piperidin-3-ylmethyl)-N-propan-2-ylthiolane-2-carboxamide
CID 106629118
2-(2-hydroxyphenyl)-N-(piperidin-3-ylmethyl)-N-propan-2-ylacetamide
CID 106629125

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide (CID 106629024) is N-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide is CC(C)N(CC1CCCNC1)C(=O)c1cscn1.
What is the InChIKey of N-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
The InChIKey is ZKXPCVKHHDDCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-10(2)16(7-11-4-3-5-14-6-11)13(17)12-8-18-9-15-12/h8-11,14H,3-7H2,1-2H3.
What are the key properties of N-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide?
N-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 1.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-3-ylmethyl)-N-propan-2-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 106629024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).