2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide

C12H16N4OS2 — CID 66389189

IUPAC2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCCC(NC(=O)c1csc(C(C)N)n1)c1nccs1
InChIInChI=1S/C12H16N4OS2/c1-3-8(12-14-4-5-18-12)15-10(17)9-6-19-11(16-9)7(2)13/h4-8H,3,13H2,1-2H3,(H,15,17)
InChIKeyNZWHDLQPWFNZSB-UHFFFAOYSA-N
MW296.42 g/mol
LogP2.50
Rot. Bonds5

About 2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide (PubChem CID 66389189) has the molecular formula C12H16N4OS2 and a molecular weight of 296.42 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
PubChem CID66389189
Molecular FormulaC12H16N4OS2
Molecular Weight296.42 g/mol
Exact Mass296.08
IUPAC Name2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide
SMILESCCC(NC(=O)c1csc(C(C)N)n1)c1nccs1
InChIInChI=1S/C12H16N4OS2/c1-3-8(12-14-4-5-18-12)15-10(17)9-6-19-11(16-9)7(2)13/h4-8H,3,13H2,1-2H3,(H,15,17)
InChIKeyNZWHDLQPWFNZSB-UHFFFAOYSA-N
XLogP2.50
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 52.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-aminoethyl)-N-butan-2-yl-1,3-thiazole-4-carboxamide
CID 66374745
4-propan-2-yl-N-[(1S)-1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-2-carboxamide
CID 125436740
2-(1-aminoethyl)-N-(1-hydroxypropan-2-yl)-1,3-thiazole-4-carboxamide
CID 66375369
methyl 2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]-3-methylpentanoate
CID 66388109
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
2-(1-aminoethyl)-N-[(1S)-1-phenylethyl]-1,3-thiazole-4-carboxamide
CID 66388213
(2R)-2-amino-N-[1-(1,3-thiazol-2-yl)propyl]pentanamide
CID 103814744
2-(1-aminoethyl)-N-(6-methylheptan-2-yl)-1,3-thiazole-4-carboxamide
CID 66390481
2-(1-aminoethyl)-N-[1-[ethyl(methyl)amino]-1-oxopropan-2-yl]-1,3-thiazole-4-carboxamide
CID 103109128
4-amino-2-(methylamino)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-5-carboxamide
CID 116666932
6-methyl-4-oxo-N-[1-(1,3-thiazol-2-yl)propyl]-1H-pyridine-3-carboxamide
CID 103718209
3,6-dichloro-N-[1-(1,3-thiazol-2-yl)propyl]pyridazine-4-carboxamide
CID 114038514

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide (CID 66389189) is 2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide is CCC(NC(=O)c1csc(C(C)N)n1)c1nccs1.
What is the InChIKey of 2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide?
The InChIKey is NZWHDLQPWFNZSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4OS2/c1-3-8(12-14-4-5-18-12)15-10(17)9-6-19-11(16-9)7(2)13/h4-8H,3,13H2,1-2H3,(H,15,17).
What are the key properties of 2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide has a molecular weight of 296.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-[1-(1,3-thiazol-2-yl)propyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66389189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).