N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide

C13H21N3OS — CID 135128202

IUPACN-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCC2CCNCC2)ns1
InChIInChI=1S/C13H21N3OS/c1-9(2)12-7-11(16-18-12)13(17)15-8-10-3-5-14-6-4-10/h7,9-10,14H,3-6,8H2,1-2H3,(H,15,17)
InChIKeyMJNIFGUFHQOGGG-UHFFFAOYSA-N
MW267.40 g/mol
LogP2.00
Rot. Bonds4

About N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide

N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide (PubChem CID 135128202) has the molecular formula C13H21N3OS and a molecular weight of 267.40 g/mol. Its IUPAC name is N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide.

Molecular Properties

Compound NameN-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide
PubChem CID135128202
Molecular FormulaC13H21N3OS
Molecular Weight267.40 g/mol
Exact Mass267.14
IUPAC NameN-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide
SMILESCC(C)c1cc(C(=O)NCC2CCNCC2)ns1
InChIInChI=1S/C13H21N3OS/c1-9(2)12-7-11(16-18-12)13(17)15-8-10-3-5-14-6-4-10/h7,9-10,14H,3-6,8H2,1-2H3,(H,15,17)
InChIKeyMJNIFGUFHQOGGG-UHFFFAOYSA-N
XLogP2.00
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.40
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-((2S,4S)-1-((4-aminopiperidin-1-yl)sulfonyl)-2-methylpiperidin-4-yl)-5-ethylisothiazole-3-carboxamide
CID 118946330
N-((2S,4R)-1-((4-aminopiperidin-1-yl)sulfonyl)-2-methylpiperidin-4-yl)-5-ethylisothiazole-3-carboxamide
CID 118946370
N-[[1-(dimethylamino)cyclopropyl]methyl]-5-methyl-1,2-thiazole-3-carboxamide
CID 126819064
N-((1r,4r)-4-aminocyclohexyl)-5-ethylisothiazole-3-carboxamide
CID 132227965
[4-(3-Fluoropropyl)piperazin-1-yl]-(5-methyl-1,2-thiazol-3-yl)methanone
CID 126822653
5-methyl-N-[6-[(2,2,2-trifluoroacetyl)amino]hexyl]-1,2-thiazole-3-carboxamide
CID 126826310
N-[1-(2-fluoroethyl)piperidin-3-yl]-5-methyl-1,2-thiazole-3-carboxamide
CID 126826356
N-(2-fluoroethyl)-5-methyl-1,2-thiazole-3-carboxamide
CID 130637820
N-heptyl-3-methyl-1,2-thiazole-5-carboxamide
CID 53683682
3-methyl-N-pentyl-1,2-thiazole-5-carboxamide
CID 53951588
3-methyl-N-octyl-1,2-thiazole-5-carboxamide
CID 54098021
N-hexyl-3-methyl-1,2-thiazole-5-carboxamide
CID 54406516

Frequently Asked Questions

What is the IUPAC name of N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide?
The IUPAC name of N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide (CID 135128202) is N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide.
What is the SMILES notation for N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide?
The canonical SMILES for N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide is CC(C)c1cc(C(=O)NCC2CCNCC2)ns1.
What is the InChIKey of N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide?
The InChIKey is MJNIFGUFHQOGGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3OS/c1-9(2)12-7-11(16-18-12)13(17)15-8-10-3-5-14-6-4-10/h7,9-10,14H,3-6,8H2,1-2H3,(H,15,17).
What are the key properties of N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide?
N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide has a molecular weight of 267.40 g/mol, XLogP of 2.00, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(piperidin-4-ylmethyl)-5-propan-2-yl-1,2-thiazole-3-carboxamide is sourced from PubChem (CID 135128202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).