2-amino-4-phenyl-N-propyl-1,3-thiazole-5-carboxamide

C13H15N3OS — CID 35433446

IUPAC2-amino-4-phenyl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1sc(N)nc1-c1ccccc1
InChIInChI=1S/C13H15N3OS/c1-2-8-15-12(17)11-10(16-13(14)18-11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,14,16)(H,15,17)
InChIKeyDMESOADZBMQJSG-UHFFFAOYSA-N
MW261.35 g/mol
LogP2.53
Rot. Bonds4

About 2-amino-4-phenyl-N-propyl-1,3-thiazole-5-carboxamide

2-amino-4-phenyl-N-propyl-1,3-thiazole-5-carboxamide (PubChem CID 35433446) has the molecular formula C13H15N3OS and a molecular weight of 261.35 g/mol. Its IUPAC name is 2-amino-4-phenyl-N-propyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-amino-4-phenyl-N-propyl-1,3-thiazole-5-carboxamide
PubChem CID35433446
Molecular FormulaC13H15N3OS
Molecular Weight261.35 g/mol
Exact Mass261.09
IUPAC Name2-amino-4-phenyl-N-propyl-1,3-thiazole-5-carboxamide
SMILESCCCNC(=O)c1sc(N)nc1-c1ccccc1
InChIInChI=1S/C13H15N3OS/c1-2-8-15-12(17)11-10(16-13(14)18-11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,14,16)(H,15,17)
InChIKeyDMESOADZBMQJSG-UHFFFAOYSA-N
XLogP2.53
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.35
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-phenyl-N-propyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-amino-4-phenyl-N-propyl-1,3-thiazole-5-carboxamide (CID 35433446) is 2-amino-4-phenyl-N-propyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-amino-4-phenyl-N-propyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-amino-4-phenyl-N-propyl-1,3-thiazole-5-carboxamide is CCCNC(=O)c1sc(N)nc1-c1ccccc1.
What is the InChIKey of 2-amino-4-phenyl-N-propyl-1,3-thiazole-5-carboxamide?
The InChIKey is DMESOADZBMQJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3OS/c1-2-8-15-12(17)11-10(16-13(14)18-11)9-6-4-3-5-7-9/h3-7H,2,8H2,1H3,(H2,14,16)(H,15,17).
What are the key properties of 2-amino-4-phenyl-N-propyl-1,3-thiazole-5-carboxamide?
2-amino-4-phenyl-N-propyl-1,3-thiazole-5-carboxamide has a molecular weight of 261.35 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-phenyl-N-propyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 35433446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).