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

C15H26N4OS — CID 165475819

IUPACN-[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-4-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCN(Cc2cnc(N)s2)CC1C
InChIInChI=1S/C15H26N4OS/c1-10(2)6-14(20)18-13-4-5-19(8-11(13)3)9-12-7-17-15(16)21-12/h7,10-11,13H,4-6,8-9H2,1-3H3,(H2,16,17)(H,18,20)
InChIKeyWSPIACOOOMQJDP-UHFFFAOYSA-N
MW310.47 g/mol
LogP2.10
Rot. Bonds5

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

N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-4-yl]-3-methylbutanamide (PubChem CID 165475819) has the molecular formula C15H26N4OS and a molecular weight of 310.47 g/mol. Its IUPAC name is N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-4-yl]-3-methylbutanamide.

Molecular Properties

Compound NameN-[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-4-yl]-3-methylbutanamide
PubChem CID165475819
Molecular FormulaC15H26N4OS
Molecular Weight310.47 g/mol
Exact Mass310.18
IUPAC NameN-[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-4-yl]-3-methylbutanamide
SMILESCC(C)CC(=O)NC1CCN(Cc2cnc(N)s2)CC1C
InChIInChI=1S/C15H26N4OS/c1-10(2)6-14(20)18-13-4-5-19(8-11(13)3)9-12-7-17-15(16)21-12/h7,10-11,13H,4-6,8-9H2,1-3H3,(H2,16,17)(H,18,20)
InChIKeyWSPIACOOOMQJDP-UHFFFAOYSA-N
XLogP2.10
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.47
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-4-yl]-2-methylpentanamide
CID 165487235
5-[(3-propan-2-ylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 115883982
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-3-yl]butanamide
CID 120899494
5-[(4-methylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771816
[1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-3-yl]methanol;hydrochloride
CID 120899572
2-fluoro-N-[(3R,4S)-3-methyl-1-[(2-methyl-1,3-thiazol-5-yl)methyl]piperidin-4-yl]benzamide
CID 124721826
(3R,4R)-1-[(2-amino-1,3-thiazol-5-yl)methyl]-4-hydroxy-3-(3-methylbutyl)piperidine-3-carboxylic acid
CID 163317333
5-[(3-propan-2-ylpiperidin-1-yl)methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120903499
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-ethylpyrrolidine-3-sulfonamide;hydrochloride
CID 120902111
1-[(2-amino-1,3-thiazol-5-yl)methyl]-N-(1-phenylethyl)piperidine-4-carboxamide
CID 175454276
5-[(2-methylthiomorpholin-4-yl)methyl]-1,3-thiazol-2-amine
CID 115882742
1-[4-[(2-amino-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-2-hydroxypropan-1-one
CID 120901218

Frequently Asked Questions

What is the IUPAC name of N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-4-yl]-3-methylbutanamide?
The IUPAC name of N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-4-yl]-3-methylbutanamide (CID 165475819) is N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-4-yl]-3-methylbutanamide.
What is the SMILES notation for N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-4-yl]-3-methylbutanamide?
The canonical SMILES for N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-4-yl]-3-methylbutanamide is CC(C)CC(=O)NC1CCN(Cc2cnc(N)s2)CC1C.
What is the InChIKey of N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-4-yl]-3-methylbutanamide?
The InChIKey is WSPIACOOOMQJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4OS/c1-10(2)6-14(20)18-13-4-5-19(8-11(13)3)9-12-7-17-15(16)21-12/h7,10-11,13H,4-6,8-9H2,1-3H3,(H2,16,17)(H,18,20).
What are the key properties of N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-4-yl]-3-methylbutanamide?
N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-4-yl]-3-methylbutanamide has a molecular weight of 310.47 g/mol, XLogP of 2.10, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[(2-amino-1,3-thiazol-5-yl)methyl]-3-methylpiperidin-4-yl]-3-methylbutanamide is sourced from PubChem (CID 165475819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).