4-[2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

C17H16N4O3S — CID 134053369

IUPAC4-[2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1cc(-c2csc(NC(=O)COCc3ccccc3)n2)c[nH]1
InChIInChI=1S/C17H16N4O3S/c18-16(23)13-6-12(7-19-13)14-10-25-17(20-14)21-15(22)9-24-8-11-4-2-1-3-5-11/h1-7,10,19H,8-9H2,(H2,18,23)(H,20,21,22)
InChIKeyAFLDVMKKTQIGPT-UHFFFAOYSA-N
MW356.41 g/mol
LogP2.39
Rot. Bonds7

About 4-[2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide

4-[2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 134053369) has the molecular formula C17H16N4O3S and a molecular weight of 356.41 g/mol. Its IUPAC name is 4-[2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID134053369
Molecular FormulaC17H16N4O3S
Molecular Weight356.41 g/mol
Exact Mass356.09
IUPAC Name4-[2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
SMILESNC(=O)c1cc(-c2csc(NC(=O)COCc3ccccc3)n2)c[nH]1
InChIInChI=1S/C17H16N4O3S/c18-16(23)13-6-12(7-19-13)14-10-25-17(20-14)21-15(22)9-24-8-11-4-2-1-3-5-11/h1-7,10,19H,8-9H2,(H2,18,23)(H,20,21,22)
InChIKeyAFLDVMKKTQIGPT-UHFFFAOYSA-N
XLogP2.39
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.41
LogP ≤ 52.39
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-phenylmethoxyacetamide
CID 25026752
4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 47019644
4-[2-[3-(2-hydroxyphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 38151893
4-[2-[(2-methylsulfanylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 47152417
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 46603699
4-[2-[(2-hydroxybenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 37139611
4-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 55527955
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 134053387
4-[2-[[2-(2,4-dichlorophenyl)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 46531472
4-[2-[(2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 37141646
4-[2-[[2-(3-methylbutanoylamino)-2-phenylacetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 56551186
4-[2-[(3-hydroxynaphthalene-2-carbonyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 38151212

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide (CID 134053369) is 4-[2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide is NC(=O)c1cc(-c2csc(NC(=O)COCc3ccccc3)n2)c[nH]1.
What is the InChIKey of 4-[2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is AFLDVMKKTQIGPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O3S/c18-16(23)13-6-12(7-19-13)14-10-25-17(20-14)21-15(22)9-24-8-11-4-2-1-3-5-11/h1-7,10,19H,8-9H2,(H2,18,23)(H,20,21,22).
What are the key properties of 4-[2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
4-[2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 356.41 g/mol, XLogP of 2.39, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 134053369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).