2-(1-aminoethyl)-N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide

C14H14N4OS — CID 66389323

IUPAC2-(1-aminoethyl)-N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)Nc2ccc3[nH]ccc3c2)cs1
InChIInChI=1S/C14H14N4OS/c1-8(15)14-18-12(7-20-14)13(19)17-10-2-3-11-9(6-10)4-5-16-11/h2-8,16H,15H2,1H3,(H,17,19)
InChIKeyUPKGMVSRJSABEK-UHFFFAOYSA-N
MW286.36 g/mol
LogP2.90
Rot. Bonds3

About 2-(1-aminoethyl)-N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide (PubChem CID 66389323) has the molecular formula C14H14N4OS and a molecular weight of 286.36 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide
PubChem CID66389323
Molecular FormulaC14H14N4OS
Molecular Weight286.36 g/mol
Exact Mass286.09
IUPAC Name2-(1-aminoethyl)-N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)Nc2ccc3[nH]ccc3c2)cs1
InChIInChI=1S/C14H14N4OS/c1-8(15)14-18-12(7-20-14)13(19)17-10-2-3-11-9(6-10)4-5-16-11/h2-8,16H,15H2,1H3,(H,17,19)
InChIKeyUPKGMVSRJSABEK-UHFFFAOYSA-N
XLogP2.90
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-aminoethyl)-N-pyridin-4-yl-1,3-thiazole-4-carboxamide
CID 66372661
2-(1-aminoethyl)-N-(3-bromo-4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 66388011
N-(1H-indol-5-yl)-2-(4-methylphenyl)-1,3-thiazole-4-carboxamide
CID 143403398
2-(1-aminoethyl)-N-(4-bromophenyl)-1,3-thiazole-4-carboxamide
CID 66374568
2-(1-aminoethyl)-N-(3-fluoro-4-hydroxyphenyl)-1,3-thiazole-4-carboxamide
CID 66390343
2-(1-aminoethyl)-N-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 66390934
2-(1-aminoethyl)-N-(1,3-benzothiazol-6-yl)-1,3-thiazole-4-carboxamide
CID 107805126
2-(1-aminoethyl)-N-(3-ethynylphenyl)-1,3-thiazole-4-carboxamide
CID 66373632
2-(1-aminoethyl)-N-[3-(dimethylamino)-4-methylphenyl]-1,3-thiazole-4-carboxamide
CID 115377305
N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide
CID 63050132
2-(1-aminoethyl)-N-(3-cyanophenyl)-1,3-thiazole-4-carboxamide
CID 66374193
2-(1-aminoethyl)-N-(3,5-dimethoxyphenyl)-1,3-thiazole-4-carboxamide
CID 3808142

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide (CID 66389323) is 2-(1-aminoethyl)-N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide is CC(N)c1nc(C(=O)Nc2ccc3[nH]ccc3c2)cs1.
What is the InChIKey of 2-(1-aminoethyl)-N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide?
The InChIKey is UPKGMVSRJSABEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4OS/c1-8(15)14-18-12(7-20-14)13(19)17-10-2-3-11-9(6-10)4-5-16-11/h2-8,16H,15H2,1H3,(H,17,19).
What are the key properties of 2-(1-aminoethyl)-N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide has a molecular weight of 286.36 g/mol, XLogP of 2.90, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-(1H-indol-5-yl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66389323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).