2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide

C10H11N3OS2 — CID 66390934

IUPAC2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)Nc2ccsc2)cs1
InChIInChI=1S/C10H11N3OS2/c1-6(11)10-13-8(5-16-10)9(14)12-7-2-3-15-4-7/h2-6H,11H2,1H3,(H,12,14)
InChIKeyKYFYYBVHVDNYGP-UHFFFAOYSA-N
MW253.35 g/mol
LogP2.48
Rot. Bonds3

About 2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide (PubChem CID 66390934) has the molecular formula C10H11N3OS2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide
PubChem CID66390934
Molecular FormulaC10H11N3OS2
Molecular Weight253.35 g/mol
Exact Mass253.03
IUPAC Name2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)Nc2ccsc2)cs1
InChIInChI=1S/C10H11N3OS2/c1-6(11)10-13-8(5-16-10)9(14)12-7-2-3-15-4-7/h2-6H,11H2,1H3,(H,12,14)
InChIKeyKYFYYBVHVDNYGP-UHFFFAOYSA-N
XLogP2.48
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66372661
2-(1-aminoethyl)-N-(4-bromophenyl)-1,3-thiazole-4-carboxamide
CID 66374568
2-(1-aminoethyl)-N-(3-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66388011
2-(1-aminoethyl)-N-[3-(dimethylamino)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 115377305
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
2-(1-aminoethyl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 3808142
2-(1-aminoethyl)-N-(3-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 66390343
2-[[2-(1-aminoethyl)-1,3-thiazole-4-carbonyl]amino]benzoic acid
CID 66389507
2-(1-aminoethyl)-N-(1,3-benzothiazol-6-yl)-1,3-thiazole-4-carboxamide
CID 107805126
2-(1-aminoethyl)-N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide
CID 66389323
2-(1-aminoethyl)-N-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide
CID 66373632
2-(1-aminoethyl)-N-(3-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 66374193

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide (CID 66390934) is 2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide is CC(N)c1nc(C(=O)Nc2ccsc2)cs1.
What is the InChIKey of 2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide?
The InChIKey is KYFYYBVHVDNYGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS2/c1-6(11)10-13-8(5-16-10)9(14)12-7-2-3-15-4-7/h2-6H,11H2,1H3,(H,12,14).
What are the key properties of 2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide has a molecular weight of 253.35 g/mol, XLogP of 2.48, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66390934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).