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

C18H18N4O3S — CID 55527955

IUPAC4-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
SMILESCc1ccc(OCC(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c(C)c1
InChIInChI=1S/C18H18N4O3S/c1-10-3-4-15(11(2)5-10)25-8-16(23)22-18-21-14(9-26-18)12-6-13(17(19)24)20-7-12/h3-7,9,20H,8H2,1-2H3,(H2,19,24)(H,21,22,23)
InChIKeyJWKHAWBADBKSMJ-UHFFFAOYSA-N
MW370.43 g/mol
LogP2.87
Rot. Bonds6

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

4-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide (PubChem CID 55527955) has the molecular formula C18H18N4O3S and a molecular weight of 370.43 g/mol. Its IUPAC name is 4-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
PubChem CID55527955
Molecular FormulaC18H18N4O3S
Molecular Weight370.43 g/mol
Exact Mass370.11
IUPAC Name4-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
SMILESCc1ccc(OCC(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c(C)c1
InChIInChI=1S/C18H18N4O3S/c1-10-3-4-15(11(2)5-10)25-8-16(23)22-18-21-14(9-26-18)12-6-13(17(19)24)20-7-12/h3-7,9,20H,8H2,1-2H3,(H2,19,24)(H,21,22,23)
InChIKeyJWKHAWBADBKSMJ-UHFFFAOYSA-N
XLogP2.87
TPSA110.10 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-[2-[3-(2,4-dimethylphenyl)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 55530961
4-[2-[[2-(4-methoxyphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 47019644
4-[2-[(2-methylsulfanylacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 47152417
2-(2,4-dimethylphenoxy)-N-(4-pyridin-2-yl-1,3-thiazol-2-yl)acetamide
CID 24982533
4-[2-[(2-phenylmethoxyacetyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 134053369
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)-1H-pyrazole-5-carboxamide
CID 78845131
4-[2-[(2-methoxybenzoyl)amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 37141646
4-[2-[3-(5-chloro-2-methoxyanilino)propanoylamino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide
CID 56551090
N-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-2-(2-methoxy-4-methylphenoxy)acetamide
CID 35964926
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]pyridine-2-carboxamide
CID 46603699
N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-2-[2-methyl-4-(4-methylbenzoyl)phenoxy]acetamide
CID 118716727
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-2-(2,5-dimethylphenoxy)acetamide
CID 1183685

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
The IUPAC name of 4-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide (CID 55527955) is 4-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide.
What is the SMILES notation for 4-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
The canonical SMILES for 4-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide is Cc1ccc(OCC(=O)Nc2nc(-c3c[nH]c(C(N)=O)c3)cs2)c(C)c1.
What is the InChIKey of 4-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
The InChIKey is JWKHAWBADBKSMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4O3S/c1-10-3-4-15(11(2)5-10)25-8-16(23)22-18-21-14(9-26-18)12-6-13(17(19)24)20-7-12/h3-7,9,20H,8H2,1-2H3,(H2,19,24)(H,21,22,23).
What are the key properties of 4-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide?
4-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 2.87, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[2-(2,4-dimethylphenoxy)acetyl]amino]-1,3-thiazol-4-yl]-1H-pyrrole-2-carboxamide is sourced from PubChem (CID 55527955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).