N-[5-[(4-amino-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide

C14H24N4OS — CID 165475821

IUPACN-[5-[(4-amino-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1ncc(CN2CCC(N)C(C)C2)s1
InChIInChI=1S/C14H24N4OS/c1-3-4-13(19)17-14-16-7-11(20-14)9-18-6-5-12(15)10(2)8-18/h7,10,12H,3-6,8-9,15H2,1-2H3,(H,16,17,19)
InChIKeyQAVQCCDLVNFZQS-UHFFFAOYSA-N
MW296.44 g/mol
LogP2.05
Rot. Bonds5

About N-[5-[(4-amino-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide

N-[5-[(4-amino-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide (PubChem CID 165475821) has the molecular formula C14H24N4OS and a molecular weight of 296.44 g/mol. Its IUPAC name is N-[5-[(4-amino-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide.

Molecular Properties

Compound NameN-[5-[(4-amino-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
PubChem CID165475821
Molecular FormulaC14H24N4OS
Molecular Weight296.44 g/mol
Exact Mass296.17
IUPAC NameN-[5-[(4-amino-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide
SMILESCCCC(=O)Nc1ncc(CN2CCC(N)C(C)C2)s1
InChIInChI=1S/C14H24N4OS/c1-3-4-13(19)17-14-16-7-11(20-14)9-18-6-5-12(15)10(2)8-18/h7,10,12H,3-6,8-9,15H2,1-2H3,(H,16,17,19)
InChIKeyQAVQCCDLVNFZQS-UHFFFAOYSA-N
XLogP2.05
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.44
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-amine
CID 94247072
N-[5-[(4-phenylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]propanamide
CID 86274331
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-3-yl]butanamide
CID 120899494
methyl N-[5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]carbamate
CID 1258070
5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774545
N-ethyl-5-[(9-methyl-3,9-diazabicyclo[4.2.1]nonan-3-yl)methyl]-1,3-thiazol-2-amine
CID 79774443
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-4-yl]-2-methylpentanamide
CID 165487235
N-[5-[[3-[(2,6-dimethyl-4-pyridinyl)methoxy]pyrrolidin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 135135119
5-(3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-ylmethyl)-N-ethyl-1,3-thiazol-2-amine
CID 79772211
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-4-yl]-3-methylbutanamide
CID 165475819
1-[[2-(prop-2-enoylamino)-1,3-thiazol-5-yl]methyl]piperidine-4-carboxylic acid
CID 175454306
5-[[3-(methoxymethyl)pyrrolidin-1-yl]methyl]-N-propyl-1,3-thiazol-2-amine
CID 79774542

Frequently Asked Questions

What is the IUPAC name of N-[5-[(4-amino-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide?
The IUPAC name of N-[5-[(4-amino-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide (CID 165475821) is N-[5-[(4-amino-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide.
What is the SMILES notation for N-[5-[(4-amino-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide?
The canonical SMILES for N-[5-[(4-amino-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide is CCCC(=O)Nc1ncc(CN2CCC(N)C(C)C2)s1.
What is the InChIKey of N-[5-[(4-amino-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide?
The InChIKey is QAVQCCDLVNFZQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4OS/c1-3-4-13(19)17-14-16-7-11(20-14)9-18-6-5-12(15)10(2)8-18/h7,10,12H,3-6,8-9,15H2,1-2H3,(H,16,17,19).
What are the key properties of N-[5-[(4-amino-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide?
N-[5-[(4-amino-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide has a molecular weight of 296.44 g/mol, XLogP of 2.05, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(4-amino-3-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-yl]butanamide is sourced from PubChem (CID 165475821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).