4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide

C12H12Br2N4OS — CID 116663693

IUPAC4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)Nc2cc(Br)ccc2Br)s1
InChIInChI=1S/C12H12Br2N4OS/c1-18(2)12-17-10(15)9(20-12)11(19)16-8-5-6(13)3-4-7(8)14/h3-5H,15H2,1-2H3,(H,16,19)
InChIKeyOXNSMKUHZGCOIZ-UHFFFAOYSA-N
MW420.13 g/mol
LogP3.57
Rot. Bonds3

About 4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide

4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide (PubChem CID 116663693) has the molecular formula C12H12Br2N4OS and a molecular weight of 420.13 g/mol. Its IUPAC name is 4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
PubChem CID116663693
Molecular FormulaC12H12Br2N4OS
Molecular Weight420.13 g/mol
Exact Mass417.91
IUPAC Name4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
SMILESCN(C)c1nc(N)c(C(=O)Nc2cc(Br)ccc2Br)s1
InChIInChI=1S/C12H12Br2N4OS/c1-18(2)12-17-10(15)9(20-12)11(19)16-8-5-6(13)3-4-7(8)14/h3-5H,15H2,1-2H3,(H,16,19)
InChIKeyOXNSMKUHZGCOIZ-UHFFFAOYSA-N
XLogP3.57
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.13
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-(3-bromo-4-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116671221
4-amino-2-(dimethylamino)-N-(4-fluoro-2-iodophenyl)-1,3-thiazole-5-carboxamide
CID 116671148
4-amino-N-[(3-bromophenyl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116663116
4-amino-N-(3-chloro-2-fluorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116669218
4-amino-N-(3-chlorophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116668442
4-amino-2-(dimethylamino)-N-(4-fluoro-3-methylphenyl)-1,3-thiazole-5-carboxamide
CID 116665584
4-amino-N-(1,3-benzothiazol-6-yl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 107806799
4-amino-N-[(5-bromothiophen-2-yl)methyl]-2-(dimethylamino)-1,3-thiazole-5-carboxamide
CID 116666832
3,6-diamino-5-cyano-N-(2,5-dibromophenyl)thieno[2,3-b]pyridine-2-carboxamide
CID 23007543
4-amino-N-(2-bromo-5-methylphenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116672031
4-amino-N-(5-bromo-2-methylphenyl)-2-(propan-2-ylamino)-1,3-thiazole-5-carboxamide
CID 116670547
4-amino-N-(2,5-dibromophenyl)-5-methylthiophene-2-carboxamide
CID 54955521

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide (CID 116663693) is 4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide is CN(C)c1nc(N)c(C(=O)Nc2cc(Br)ccc2Br)s1.
What is the InChIKey of 4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
The InChIKey is OXNSMKUHZGCOIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Br2N4OS/c1-18(2)12-17-10(15)9(20-12)11(19)16-8-5-6(13)3-4-7(8)14/h3-5H,15H2,1-2H3,(H,16,19).
What are the key properties of 4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide?
4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide has a molecular weight of 420.13 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-(2,5-dibromophenyl)-2-(dimethylamino)-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).