N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide

C16H15N3OS — CID 127045820

IUPACN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)n1cccc1
InChIInChI=1S/C16H15N3OS/c20-16(19-10-4-5-11-19)17-9-8-15-18-14(12-21-15)13-6-2-1-3-7-13/h1-7,10-12H,8-9H2,(H,17,20)
InChIKeyXBAVNLNWXQJWKI-UHFFFAOYSA-N
MW297.38 g/mol
LogP3.41
Rot. Bonds4

About N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide (PubChem CID 127045820) has the molecular formula C16H15N3OS and a molecular weight of 297.38 g/mol. Its IUPAC name is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide
PubChem CID127045820
Molecular FormulaC16H15N3OS
Molecular Weight297.38 g/mol
Exact Mass297.09
IUPAC NameN-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide
SMILESO=C(NCCc1nc(-c2ccccc2)cs1)n1cccc1
InChIInChI=1S/C16H15N3OS/c20-16(19-10-4-5-11-19)17-9-8-15-18-14(12-21-15)13-6-2-1-3-7-13/h1-7,10-12H,8-9H2,(H,17,20)
InChIKeyXBAVNLNWXQJWKI-UHFFFAOYSA-N
XLogP3.41
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 1497759
1-benzyl-3-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]urea
CID 127048003
3-(4-oxopyrido[2,1-c][1,2,4]triazin-3-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 75490067
3-(dimethylamino)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 110442461
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-2-thiophen-2-ylacetamide
CID 110440328
3-(5-phenyl-1,3,4-oxadiazol-2-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 25386042
3-(4-methylpyrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 90649319
1-phenyl-3-[2-(4-pyridin-4-yl-1,3-thiazol-2-yl)ethyl]urea
CID 110317790
2-(5-aminotetrazol-1-yl)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]acetamide
CID 131902251
4-(4-phenyl-1,3-thiazol-2-yl)butan-2-one
CID 82115866
(3S)-N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]oxolane-3-carboxamide
CID 124758437
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 77079887

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide?
The IUPAC name of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide (CID 127045820) is N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide.
What is the SMILES notation for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide?
The canonical SMILES for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide is O=C(NCCc1nc(-c2ccccc2)cs1)n1cccc1.
What is the InChIKey of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide?
The InChIKey is XBAVNLNWXQJWKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3OS/c20-16(19-10-4-5-11-19)17-9-8-15-18-14(12-21-15)13-6-2-1-3-7-13/h1-7,10-12H,8-9H2,(H,17,20).
What are the key properties of N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide?
N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide has a molecular weight of 297.38 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-phenyl-1,3-thiazol-2-yl)ethyl]pyrrole-1-carboxamide is sourced from PubChem (CID 127045820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).