3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide

C15H18N4OS — CID 103382534

IUPAC3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide
SMILESNc1nsc(NCCc2ccccc2)c1C(=O)NC1CC1
InChIInChI=1S/C15H18N4OS/c16-13-12(14(20)18-11-6-7-11)15(21-19-13)17-9-8-10-4-2-1-3-5-10/h1-5,11,17H,6-9H2,(H2,16,19)(H,18,20)
InChIKeyUMGZWTVUXCVEIL-UHFFFAOYSA-N
MW302.40 g/mol
LogP2.27
Rot. Bonds6

About 3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide

3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide (PubChem CID 103382534) has the molecular formula C15H18N4OS and a molecular weight of 302.40 g/mol. Its IUPAC name is 3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide
PubChem CID103382534
Molecular FormulaC15H18N4OS
Molecular Weight302.40 g/mol
Exact Mass302.12
IUPAC Name3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide
SMILESNc1nsc(NCCc2ccccc2)c1C(=O)NC1CC1
InChIInChI=1S/C15H18N4OS/c16-13-12(14(20)18-11-6-7-11)15(21-19-13)17-9-8-10-4-2-1-3-5-10/h1-5,11,17H,6-9H2,(H2,16,19)(H,18,20)
InChIKeyUMGZWTVUXCVEIL-UHFFFAOYSA-N
XLogP2.27
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 52.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-amino-5-(2-phenylethylamino)-1,2-thiazole-4-carboxylate
CID 103382532
3-amino-5-[(3-bromophenyl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103378557
3-amino-N-cyclopropyl-5-(3-fluoropropylamino)-1,2-thiazole-4-carboxamide
CID 114267278
3-amino-N-cyclopropyl-5-(3,3,3-trifluoropropylamino)-1,2-thiazole-4-carboxamide
CID 103380138
3-amino-5-[(5-chlorothiophen-2-yl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103378645
3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382836
3-amino-N-cyclopropyl-5-[4-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide
CID 103379369
3-amino-N-cyclopropyl-5-[2-(triazol-1-yl)ethylamino]-1,2-thiazole-4-carboxamide
CID 103384003
3-amino-N-cyclopropyl-5-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1,2-thiazole-4-carboxamide
CID 103380199
3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382473
3-methyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxylic acid
CID 79402917
3-amino-N-cyclopropyl-4-(2-phenylethylamino)benzamide
CID 100622291

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide (CID 103382534) is 3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide is Nc1nsc(NCCc2ccccc2)c1C(=O)NC1CC1.
What is the InChIKey of 3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide?
The InChIKey is UMGZWTVUXCVEIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4OS/c16-13-12(14(20)18-11-6-7-11)15(21-19-13)17-9-8-10-4-2-1-3-5-10/h1-5,11,17H,6-9H2,(H2,16,19)(H,18,20).
What are the key properties of 3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide?
3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide has a molecular weight of 302.40 g/mol, XLogP of 2.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103382534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).