N-[[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopentanecarboxamide

C22H29N3OS — CID 166950490

IUPACN-[[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopentanecarboxamide
SMILESCC(C)N1CC(c2ncc(-c3ccc(CNC(=O)C4CCCC4)cc3)s2)C1
InChIInChI=1S/C22H29N3OS/c1-15(2)25-13-19(14-25)22-24-12-20(27-22)17-9-7-16(8-10-17)11-23-21(26)18-5-3-4-6-18/h7-10,12,15,18-19H,3-6,11,13-14H2,1-2H3,(H,23,26)
InChIKeyORFHUZYVCUTHBT-UHFFFAOYSA-N
MW383.56 g/mol
LogP4.42
Rot. Bonds6

About N-[[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopentanecarboxamide

N-[[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopentanecarboxamide (PubChem CID 166950490) has the molecular formula C22H29N3OS and a molecular weight of 383.56 g/mol. Its IUPAC name is N-[[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopentanecarboxamide.

Molecular Properties

Compound NameN-[[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopentanecarboxamide
PubChem CID166950490
Molecular FormulaC22H29N3OS
Molecular Weight383.56 g/mol
Exact Mass383.20
IUPAC NameN-[[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopentanecarboxamide
SMILESCC(C)N1CC(c2ncc(-c3ccc(CNC(=O)C4CCCC4)cc3)s2)C1
InChIInChI=1S/C22H29N3OS/c1-15(2)25-13-19(14-25)22-24-12-20(27-22)17-9-7-16(8-10-17)11-23-21(26)18-5-3-4-6-18/h7-10,12,15,18-19H,3-6,11,13-14H2,1-2H3,(H,23,26)
InChIKeyORFHUZYVCUTHBT-UHFFFAOYSA-N
XLogP4.42
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.56
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-benzylcyclopentanecarboxamide
CID 835634
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CID 121196766
N-[[5-[(4-methylphenyl)methyl]-1,3-thiazol-2-yl]methyl]cyclobutanecarboxamide
CID 110645219
N-[[4-(hydroxymethyl)phenyl]methyl]cyclobutanecarboxamide
CID 107231476
N-(quinoxalin-6-ylmethyl)cyclohexanecarboxamide
CID 110672196
1-N-(3-methylbutyl)-4-N-[(4-methylphenyl)methyl]cyclohexane-1,4-dicarboxamide
CID 109148148
N-(3-aminobutyl)-4-[(cyclopentanecarbonylamino)methyl]benzamide;hydrochloride
CID 119497751
1-[5-(4-fluorophenyl)pyrimidin-2-yl]-N-[(4-propan-2-ylphenyl)methyl]piperidine-3-carboxamide
CID 53106998
3-[[4-[(cyclopentanecarbonylamino)methyl]benzoyl]amino]-2-methylpropanoic acid
CID 119236774
N-[[4-(2-aminoethyl)phenyl]methyl]cyclooctanecarboxamide
CID 65022816
N-benzylcyclobutanecarboxamide
CID 730128
N-[[4-(piperidine-1-carbonyl)phenyl]methyl]cyclopentanecarboxamide
CID 18119554

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopentanecarboxamide?
The IUPAC name of N-[[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopentanecarboxamide (CID 166950490) is N-[[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopentanecarboxamide.
What is the SMILES notation for N-[[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopentanecarboxamide?
The canonical SMILES for N-[[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopentanecarboxamide is CC(C)N1CC(c2ncc(-c3ccc(CNC(=O)C4CCCC4)cc3)s2)C1.
What is the InChIKey of N-[[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopentanecarboxamide?
The InChIKey is ORFHUZYVCUTHBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3OS/c1-15(2)25-13-19(14-25)22-24-12-20(27-22)17-9-7-16(8-10-17)11-23-21(26)18-5-3-4-6-18/h7-10,12,15,18-19H,3-6,11,13-14H2,1-2H3,(H,23,26).
What are the key properties of N-[[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopentanecarboxamide?
N-[[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopentanecarboxamide has a molecular weight of 383.56 g/mol, XLogP of 4.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-(1-propan-2-ylazetidin-3-yl)-1,3-thiazol-5-yl]phenyl]methyl]cyclopentanecarboxamide is sourced from PubChem (CID 166950490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).