3-amino-5-[(3-bromophenyl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide

C14H15BrN4OS — CID 103378557

IUPAC3-amino-5-[(3-bromophenyl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide
SMILESNc1nsc(NCc2cccc(Br)c2)c1C(=O)NC1CC1
InChIInChI=1S/C14H15BrN4OS/c15-9-3-1-2-8(6-9)7-17-14-11(12(16)19-21-14)13(20)18-10-4-5-10/h1-3,6,10,17H,4-5,7H2,(H2,16,19)(H,18,20)
InChIKeyDUJUSVLGEPHLJH-UHFFFAOYSA-N
MW367.27 g/mol
LogP2.99
Rot. Bonds5

About 3-amino-5-[(3-bromophenyl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide

3-amino-5-[(3-bromophenyl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide (PubChem CID 103378557) has the molecular formula C14H15BrN4OS and a molecular weight of 367.27 g/mol. Its IUPAC name is 3-amino-5-[(3-bromophenyl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name3-amino-5-[(3-bromophenyl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide
PubChem CID103378557
Molecular FormulaC14H15BrN4OS
Molecular Weight367.27 g/mol
Exact Mass366.01
IUPAC Name3-amino-5-[(3-bromophenyl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide
SMILESNc1nsc(NCc2cccc(Br)c2)c1C(=O)NC1CC1
InChIInChI=1S/C14H15BrN4OS/c15-9-3-1-2-8(6-9)7-17-14-11(12(16)19-21-14)13(20)18-10-4-5-10/h1-3,6,10,17H,4-5,7H2,(H2,16,19)(H,18,20)
InChIKeyDUJUSVLGEPHLJH-UHFFFAOYSA-N
XLogP2.99
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.27
LogP ≤ 52.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-cyclopropyl-5-(2-phenylethylamino)-1,2-thiazole-4-carboxamide
CID 103382534
3-amino-N-cyclopropyl-5-(3-fluoropropylamino)-1,2-thiazole-4-carboxamide
CID 114267278
3-amino-5-(cyclopentylmethylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382836
3-amino-5-[(3-bromophenyl)methylamino]-N,N-dimethyl-1,2-thiazole-4-sulfonamide
CID 103359527
3-amino-5-[(3-methylphenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103383106
3-amino-5-[(3-chlorophenyl)methylamino]-1,2-thiazole-4-carboxamide
CID 103380000
3-amino-5-[(3-chlorophenyl)methylamino]-N-propan-2-yl-1,2-thiazole-4-carboxamide
CID 103380008
3-amino-N-cyclopropyl-5-[4-(dimethylamino)butylamino]-1,2-thiazole-4-carboxamide
CID 103379369
3-amino-N-cyclopropyl-5-(4-methylsulfanylbutylamino)-1,2-thiazole-4-carboxamide
CID 103384184
3-amino-5-(cyclooctylamino)-N-cyclopropyl-1,2-thiazole-4-carboxamide
CID 103382473
ethyl 3-amino-5-[(3-fluorophenyl)methylamino]-1,2-thiazole-4-carboxylate
CID 103382737
2-(3-bromophenyl)-N-cyclopentylacetamide
CID 62605138

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[(3-bromophenyl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide?
The IUPAC name of 3-amino-5-[(3-bromophenyl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide (CID 103378557) is 3-amino-5-[(3-bromophenyl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 3-amino-5-[(3-bromophenyl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide?
The canonical SMILES for 3-amino-5-[(3-bromophenyl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide is Nc1nsc(NCc2cccc(Br)c2)c1C(=O)NC1CC1.
What is the InChIKey of 3-amino-5-[(3-bromophenyl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide?
The InChIKey is DUJUSVLGEPHLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrN4OS/c15-9-3-1-2-8(6-9)7-17-14-11(12(16)19-21-14)13(20)18-10-4-5-10/h1-3,6,10,17H,4-5,7H2,(H2,16,19)(H,18,20).
What are the key properties of 3-amino-5-[(3-bromophenyl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide?
3-amino-5-[(3-bromophenyl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide has a molecular weight of 367.27 g/mol, XLogP of 2.99, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[(3-bromophenyl)methylamino]-N-cyclopropyl-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 103378557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).