5-amino-3-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide

C18H17N5O2S — CID 71621787

IUPAC5-amino-3-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)Nc2ccc(-c3nsc(N)c3C(N)=O)cc2)cc1
InChIInChI=1S/C18H17N5O2S/c1-10-2-6-12(7-3-10)21-18(25)22-13-8-4-11(5-9-13)15-14(16(19)24)17(20)26-23-15/h2-9H,20H2,1H3,(H2,19,24)(H2,21,22,25)
InChIKeyZJBJTRVSIRUZGZ-UHFFFAOYSA-N
MW367.43 g/mol
LogP3.44
Rot. Bonds4

About 5-amino-3-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide

5-amino-3-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide (PubChem CID 71621787) has the molecular formula C18H17N5O2S and a molecular weight of 367.43 g/mol. Its IUPAC name is 5-amino-3-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-3-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide
PubChem CID71621787
Molecular FormulaC18H17N5O2S
Molecular Weight367.43 g/mol
Exact Mass367.11
IUPAC Name5-amino-3-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide
SMILESCc1ccc(NC(=O)Nc2ccc(-c3nsc(N)c3C(N)=O)cc2)cc1
InChIInChI=1S/C18H17N5O2S/c1-10-2-6-12(7-3-10)21-18(25)22-13-8-4-11(5-9-13)15-14(16(19)24)17(20)26-23-15/h2-9H,20H2,1H3,(H2,19,24)(H2,21,22,25)
InChIKeyZJBJTRVSIRUZGZ-UHFFFAOYSA-N
XLogP3.44
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.43
LogP ≤ 53.44
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-3-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-amino-3-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide (CID 71621787) is 5-amino-3-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-amino-3-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-amino-3-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide is Cc1ccc(NC(=O)Nc2ccc(-c3nsc(N)c3C(N)=O)cc2)cc1.
What is the InChIKey of 5-amino-3-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide?
The InChIKey is ZJBJTRVSIRUZGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O2S/c1-10-2-6-12(7-3-10)21-18(25)22-13-8-4-11(5-9-13)15-14(16(19)24)17(20)26-23-15/h2-9H,20H2,1H3,(H2,19,24)(H2,21,22,25).
What are the key properties of 5-amino-3-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide?
5-amino-3-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide has a molecular weight of 367.43 g/mol, XLogP of 3.44, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-[4-[(4-methylphenyl)carbamoylamino]phenyl]-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 71621787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).