4-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide

C12H15BrN4OS2 — CID 116664190

IUPAC4-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)N(C)Cc2cc(Br)cs2)s1
InChIInChI=1S/C12H15BrN4OS2/c1-3-15-12-16-10(14)9(20-12)11(18)17(2)5-8-4-7(13)6-19-8/h4,6H,3,5,14H2,1-2H3,(H,15,16)
InChIKeyGMUWDBILQUFADR-UHFFFAOYSA-N
MW375.32 g/mol
LogP3.25
Rot. Bonds5

About 4-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide

4-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide (PubChem CID 116664190) has the molecular formula C12H15BrN4OS2 and a molecular weight of 375.32 g/mol. Its IUPAC name is 4-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide
PubChem CID116664190
Molecular FormulaC12H15BrN4OS2
Molecular Weight375.32 g/mol
Exact Mass373.99
IUPAC Name4-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)N(C)Cc2cc(Br)cs2)s1
InChIInChI=1S/C12H15BrN4OS2/c1-3-15-12-16-10(14)9(20-12)11(18)17(2)5-8-4-7(13)6-19-8/h4,6H,3,5,14H2,1-2H3,(H,15,16)
InChIKeyGMUWDBILQUFADR-UHFFFAOYSA-N
XLogP3.25
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.32
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide with MolForge

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Related Compounds

4-amino-2-(ethylamino)-N-methyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-5-carboxamide
CID 116670593
4-amino-2-(ethylamino)-N-methyl-N-(2-methylbutan-2-yl)-1,3-thiazole-5-carboxamide
CID 116666497
4-amino-N-(cyclobutylmethyl)-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide
CID 116665637
4-amino-2-(ethylamino)-N-methyl-N-(4-methylpentan-2-yl)-1,3-thiazole-5-carboxamide
CID 116664355
4-amino-2-(ethylamino)-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-carboxamide
CID 116671287
4-amino-2-(ethylamino)-N-methyl-N-(2-pyrrolidin-1-ylethyl)-1,3-thiazole-5-carboxamide
CID 116665920
4-amino-N-methyl-2-(propylamino)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-5-carboxamide
CID 116671308
1-[(4-bromothiophen-2-yl)methyl]-1-methylurea
CID 61059409
2-(2-aminoethyl)-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-1,3-thiazole-4-carboxamide
CID 66389291
4-amino-N-[(2-bromophenyl)methyl]-N-methyl-2-(methylamino)-1,3-thiazole-5-carboxamide
CID 116663151
4-amino-2-(ethylamino)-N-(3-methoxyphenyl)-N-methyl-1,3-thiazole-5-carboxamide
CID 116665055
2-[(4-bromothiophen-2-yl)methylamino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 80570644

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide (CID 116664190) is 4-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)N(C)Cc2cc(Br)cs2)s1.
What is the InChIKey of 4-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is GMUWDBILQUFADR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4OS2/c1-3-15-12-16-10(14)9(20-12)11(18)17(2)5-8-4-7(13)6-19-8/h4,6H,3,5,14H2,1-2H3,(H,15,16).
What are the key properties of 4-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide?
4-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 375.32 g/mol, XLogP of 3.25, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(4-bromothiophen-2-yl)methyl]-2-(ethylamino)-N-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116664190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).