3-(2-methylimidazol-1-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]butanamide

C16H23N5OS — CID 118779507

IUPAC3-(2-methylimidazol-1-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]butanamide
SMILESCc1nccn1C(C)CC(=O)NCc1csc(N2CCCC2)n1
InChIInChI=1S/C16H23N5OS/c1-12(21-8-5-17-13(21)2)9-15(22)18-10-14-11-23-16(19-14)20-6-3-4-7-20/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,18,22)
InChIKeyWDNHWMPDNHRMBI-UHFFFAOYSA-N
MW333.46 g/mol
LogP2.52
Rot. Bonds6

About 3-(2-methylimidazol-1-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]butanamide

3-(2-methylimidazol-1-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]butanamide (PubChem CID 118779507) has the molecular formula C16H23N5OS and a molecular weight of 333.46 g/mol. Its IUPAC name is 3-(2-methylimidazol-1-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]butanamide.

Molecular Properties

Compound Name3-(2-methylimidazol-1-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]butanamide
PubChem CID118779507
Molecular FormulaC16H23N5OS
Molecular Weight333.46 g/mol
Exact Mass333.16
IUPAC Name3-(2-methylimidazol-1-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]butanamide
SMILESCc1nccn1C(C)CC(=O)NCc1csc(N2CCCC2)n1
InChIInChI=1S/C16H23N5OS/c1-12(21-8-5-17-13(21)2)9-15(22)18-10-14-11-23-16(19-14)20-6-3-4-7-20/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,18,22)
InChIKeyWDNHWMPDNHRMBI-UHFFFAOYSA-N
XLogP2.52
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.46
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-3-(2-methylimidazol-1-yl)-N-[(5-propyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl)methyl]butanamide
CID 96581008
N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 70779660
(2S)-2-amino-3,3-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]butanamide
CID 119888192
3-(1-methylpiperidin-3-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]propanamide
CID 72868563
acetic acid;2-[4-(2-aminoethoxy)phenyl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 154905954
4-amino-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]pentanamide
CID 120565652
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CID 138807113
N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]-1,3-benzothiazole-7-carboxamide
CID 162634908
(3S)-3-(2-methylimidazol-1-yl)-N-[2-(1,2,4-triazol-1-yl)ethyl]butanamide
CID 125162758
2-(2,5-dioxo-1-propylimidazolidin-4-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 91830066
1-(1-methylbenzimidazol-5-yl)-3-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]urea
CID 118791530
2-[5-(pyrrolidin-1-ylmethyl)tetrazol-1-yl]-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]acetamide
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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylimidazol-1-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]butanamide?
The IUPAC name of 3-(2-methylimidazol-1-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]butanamide (CID 118779507) is 3-(2-methylimidazol-1-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]butanamide.
What is the SMILES notation for 3-(2-methylimidazol-1-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]butanamide?
The canonical SMILES for 3-(2-methylimidazol-1-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]butanamide is Cc1nccn1C(C)CC(=O)NCc1csc(N2CCCC2)n1.
What is the InChIKey of 3-(2-methylimidazol-1-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]butanamide?
The InChIKey is WDNHWMPDNHRMBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N5OS/c1-12(21-8-5-17-13(21)2)9-15(22)18-10-14-11-23-16(19-14)20-6-3-4-7-20/h5,8,11-12H,3-4,6-7,9-10H2,1-2H3,(H,18,22).
What are the key properties of 3-(2-methylimidazol-1-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]butanamide?
3-(2-methylimidazol-1-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]butanamide has a molecular weight of 333.46 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylimidazol-1-yl)-N-[(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)methyl]butanamide is sourced from PubChem (CID 118779507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).