2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide

C10H8ClN3OS — CID 16658823

IUPAC2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(N)nc1-c1cccc(Cl)c1
InChIInChI=1S/C10H8ClN3OS/c11-6-3-1-2-5(4-6)7-8(9(12)15)16-10(13)14-7/h1-4H,(H2,12,15)(H2,13,14)
InChIKeyVOVGPMQOUNDPEM-UHFFFAOYSA-N
MW253.71 g/mol
LogP2.14
Rot. Bonds2

About 2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide

2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide (PubChem CID 16658823) has the molecular formula C10H8ClN3OS and a molecular weight of 253.71 g/mol. Its IUPAC name is 2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide
PubChem CID16658823
Molecular FormulaC10H8ClN3OS
Molecular Weight253.71 g/mol
Exact Mass253.01
IUPAC Name2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide
SMILESNC(=O)c1sc(N)nc1-c1cccc(Cl)c1
InChIInChI=1S/C10H8ClN3OS/c11-6-3-1-2-5(4-6)7-8(9(12)15)16-10(13)14-7/h1-4H,(H2,12,15)(H2,13,14)
InChIKeyVOVGPMQOUNDPEM-UHFFFAOYSA-N
XLogP2.14
TPSA82.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.71
LogP ≤ 52.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide (CID 16658823) is 2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide is NC(=O)c1sc(N)nc1-c1cccc(Cl)c1.
What is the InChIKey of 2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide?
The InChIKey is VOVGPMQOUNDPEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN3OS/c11-6-3-1-2-5(4-6)7-8(9(12)15)16-10(13)14-7/h1-4H,(H2,12,15)(H2,13,14).
What are the key properties of 2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide?
2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide has a molecular weight of 253.71 g/mol, XLogP of 2.14, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-chlorophenyl)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16658823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).