2-(2-aminoethyl)-N-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

C9H9BrN4OS2 — CID 66389270

IUPAC2-(2-aminoethyl)-N-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)Nc2ncc(Br)s2)cs1
InChIInChI=1S/C9H9BrN4OS2/c10-6-3-12-9(17-6)14-8(15)5-4-16-7(13-5)1-2-11/h3-4H,1-2,11H2,(H,12,14,15)
InChIKeyRCKNUFYEYRVTOX-UHFFFAOYSA-N
MW333.24 g/mol
LogP2.12
Rot. Bonds4

About 2-(2-aminoethyl)-N-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide

2-(2-aminoethyl)-N-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (PubChem CID 66389270) has the molecular formula C9H9BrN4OS2 and a molecular weight of 333.24 g/mol. Its IUPAC name is 2-(2-aminoethyl)-N-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(2-aminoethyl)-N-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
PubChem CID66389270
Molecular FormulaC9H9BrN4OS2
Molecular Weight333.24 g/mol
Exact Mass331.94
IUPAC Name2-(2-aminoethyl)-N-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
SMILESNCCc1nc(C(=O)Nc2ncc(Br)s2)cs1
InChIInChI=1S/C9H9BrN4OS2/c10-6-3-12-9(17-6)14-8(15)5-4-16-7(13-5)1-2-11/h3-4H,1-2,11H2,(H,12,14,15)
InChIKeyRCKNUFYEYRVTOX-UHFFFAOYSA-N
XLogP2.12
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.24
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2-aminoethyl)-N-(5-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 120616958
2-(2-aminoethyl)-N-(4-methyl-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 66372668
2-(2-aminoethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 107641921
2-(2-aminoethyl)-N-(4-bromo-2,6-difluorophenyl)-1,3-thiazole-4-carboxamide
CID 66389198
2-(2-aminoethyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-1,3-thiazole-4-carboxamide
CID 120620106
2-(2-aminoethyl)-N-methyl-1,3-thiazole-4-carboxamide
CID 66375134
2-(2-aminoethyl)-N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-1,3-thiazole-4-carboxamide
CID 120624911
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(2-aminoethyl)-N-(1-methylpyrazol-4-yl)-1,3-thiazole-4-carboxamide
CID 66390582
2-[[2-(2-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-4-bromobenzoic acid
CID 66388543
2-(2-aminoethyl)-N-tert-butyl-1,3-thiazole-4-carboxamide
CID 66374176
2-(2-aminoethyl)-N-(pyrimidin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 129052232

Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-N-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(2-aminoethyl)-N-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide (CID 66389270) is 2-(2-aminoethyl)-N-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(2-aminoethyl)-N-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(2-aminoethyl)-N-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is NCCc1nc(C(=O)Nc2ncc(Br)s2)cs1.
What is the InChIKey of 2-(2-aminoethyl)-N-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is RCKNUFYEYRVTOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN4OS2/c10-6-3-12-9(17-6)14-8(15)5-4-16-7(13-5)1-2-11/h3-4H,1-2,11H2,(H,12,14,15).
What are the key properties of 2-(2-aminoethyl)-N-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide?
2-(2-aminoethyl)-N-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 333.24 g/mol, XLogP of 2.12, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-N-(5-bromo-1,3-thiazol-2-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66389270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).