N,N-dimethyl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butanamide

C18H27N5OS — CID 70712040

IUPACN,N-dimethyl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butanamide
SMILESCCC(C(=O)N(C)C)N1CCC(c2nccn2Cc2cscn2)CC1
InChIInChI=1S/C18H27N5OS/c1-4-16(18(24)21(2)3)22-8-5-14(6-9-22)17-19-7-10-23(17)11-15-12-25-13-20-15/h7,10,12-14,16H,4-6,8-9,11H2,1-3H3
InChIKeyZEHHUJUYISOZMI-UHFFFAOYSA-N
MW361.52 g/mol
LogP2.43
Rot. Bonds6

About N,N-dimethyl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butanamide

N,N-dimethyl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butanamide (PubChem CID 70712040) has the molecular formula C18H27N5OS and a molecular weight of 361.52 g/mol. Its IUPAC name is N,N-dimethyl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butanamide
PubChem CID70712040
Molecular FormulaC18H27N5OS
Molecular Weight361.52 g/mol
Exact Mass361.19
IUPAC NameN,N-dimethyl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butanamide
SMILESCCC(C(=O)N(C)C)N1CCC(c2nccn2Cc2cscn2)CC1
InChIInChI=1S/C18H27N5OS/c1-4-16(18(24)21(2)3)22-8-5-14(6-9-22)17-19-7-10-23(17)11-15-12-25-13-20-15/h7,10,12-14,16H,4-6,8-9,11H2,1-3H3
InChIKeyZEHHUJUYISOZMI-UHFFFAOYSA-N
XLogP2.43
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.52
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-N-[4-[[4-[(1-methylimidazol-2-yl)methyl]piperazin-1-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 53552959
[2-(Methoxymethyl)-1,3-thiazol-4-yl]-[3-(2-methylimidazol-1-yl)piperidin-1-yl]methanone
CID 53612988
(2-Cyclopropyl-1,3-thiazol-4-yl)-[3-(2-ethylimidazol-1-yl)piperidin-1-yl]methanone
CID 53617458
[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-[2-(methoxymethyl)-1,3-thiazol-4-yl]methanone
CID 53617690
2-(2-Methyl-1,3-thiazol-4-yl)-1-[3-(2-propan-2-ylimidazol-1-yl)piperidin-1-yl]ethanone
CID 53618407
N-[4-[3-(2-ethylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 53621075
1-[4-[(2-Ethyl-1,3-thiazol-4-yl)methyl]-1,4-diazepan-1-yl]-2-imidazol-1-ylpropan-1-one
CID 53622455
1-[3-(2-Ethylimidazol-1-yl)piperidin-1-yl]-3-(1,3-thiazol-2-yl)propan-1-one
CID 56779756
N-[4-[3-(2-methylimidazol-1-yl)piperidine-1-carbonyl]-1,3-thiazol-2-yl]acetamide
CID 56802401
1-(ethoxyacetyl)-4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine
CID 70704234
1-(3-methyl-2-buten-1-yl)-4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine
CID 70734501
1-[3-(methylthio)propanoyl]-4-[1-(1,3-thiazol-4-ylmethyl)-1H-imidazol-2-yl]piperidine
CID 70746515

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butanamide?
The IUPAC name of N,N-dimethyl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butanamide (CID 70712040) is N,N-dimethyl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butanamide.
What is the SMILES notation for N,N-dimethyl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butanamide?
The canonical SMILES for N,N-dimethyl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butanamide is CCC(C(=O)N(C)C)N1CCC(c2nccn2Cc2cscn2)CC1.
What is the InChIKey of N,N-dimethyl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butanamide?
The InChIKey is ZEHHUJUYISOZMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N5OS/c1-4-16(18(24)21(2)3)22-8-5-14(6-9-22)17-19-7-10-23(17)11-15-12-25-13-20-15/h7,10,12-14,16H,4-6,8-9,11H2,1-3H3.
What are the key properties of N,N-dimethyl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butanamide?
N,N-dimethyl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butanamide has a molecular weight of 361.52 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[4-[1-(1,3-thiazol-4-ylmethyl)imidazol-2-yl]piperidin-1-yl]butanamide is sourced from PubChem (CID 70712040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).