N-(cyclobutylmethyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetamide

C17H23N3OS — CID 38653658

IUPACN-(cyclobutylmethyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetamide
SMILESCc1nc(-c2cc(C)n(CC(=O)NCC3CCC3)c2C)cs1
InChIInChI=1S/C17H23N3OS/c1-11-7-15(16-10-22-13(3)19-16)12(2)20(11)9-17(21)18-8-14-5-4-6-14/h7,10,14H,4-6,8-9H2,1-3H3,(H,18,21)
InChIKeyJTSWHMQJPWJQSC-UHFFFAOYSA-N
MW317.46 g/mol
LogP3.45
Rot. Bonds5

About N-(cyclobutylmethyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetamide

N-(cyclobutylmethyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetamide (PubChem CID 38653658) has the molecular formula C17H23N3OS and a molecular weight of 317.46 g/mol. Its IUPAC name is N-(cyclobutylmethyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyclobutylmethyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetamide
PubChem CID38653658
Molecular FormulaC17H23N3OS
Molecular Weight317.46 g/mol
Exact Mass317.16
IUPAC NameN-(cyclobutylmethyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetamide
SMILESCc1nc(-c2cc(C)n(CC(=O)NCC3CCC3)c2C)cs1
InChIInChI=1S/C17H23N3OS/c1-11-7-15(16-10-22-13(3)19-16)12(2)20(11)9-17(21)18-8-14-5-4-6-14/h7,10,14H,4-6,8-9H2,1-3H3,(H,18,21)
InChIKeyJTSWHMQJPWJQSC-UHFFFAOYSA-N
XLogP3.45
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(cyclobutylmethyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetamide?
The IUPAC name of N-(cyclobutylmethyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetamide (CID 38653658) is N-(cyclobutylmethyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetamide.
What is the SMILES notation for N-(cyclobutylmethyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetamide?
The canonical SMILES for N-(cyclobutylmethyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetamide is Cc1nc(-c2cc(C)n(CC(=O)NCC3CCC3)c2C)cs1.
What is the InChIKey of N-(cyclobutylmethyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetamide?
The InChIKey is JTSWHMQJPWJQSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3OS/c1-11-7-15(16-10-22-13(3)19-16)12(2)20(11)9-17(21)18-8-14-5-4-6-14/h7,10,14H,4-6,8-9H2,1-3H3,(H,18,21).
What are the key properties of N-(cyclobutylmethyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetamide?
N-(cyclobutylmethyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetamide has a molecular weight of 317.46 g/mol, XLogP of 3.45, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclobutylmethyl)-2-[2,5-dimethyl-3-(2-methyl-1,3-thiazol-4-yl)pyrrol-1-yl]acetamide is sourced from PubChem (CID 38653658), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).