N-(1,3-thiazol-2-ylmethyl)-1H-indol-5-amine

C12H11N3S — CID 63655581

IUPACN-(1,3-thiazol-2-ylmethyl)-1H-indol-5-amine
SMILESc1csc(CNc2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C12H11N3S/c1-2-11-9(3-4-13-11)7-10(1)15-8-12-14-5-6-16-12/h1-7,13,15H,8H2
InChIKeyWUCSDVOIPPAETA-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.24
Rot. Bonds3

About N-(1,3-thiazol-2-ylmethyl)-1H-indol-5-amine

N-(1,3-thiazol-2-ylmethyl)-1H-indol-5-amine (PubChem CID 63655581) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is N-(1,3-thiazol-2-ylmethyl)-1H-indol-5-amine.

Molecular Properties

Compound NameN-(1,3-thiazol-2-ylmethyl)-1H-indol-5-amine
PubChem CID63655581
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC NameN-(1,3-thiazol-2-ylmethyl)-1H-indol-5-amine
SMILESc1csc(CNc2ccc3[nH]ccc3c2)n1
InChIInChI=1S/C12H11N3S/c1-2-11-9(3-4-13-11)7-10(1)15-8-12-14-5-6-16-12/h1-7,13,15H,8H2
InChIKeyWUCSDVOIPPAETA-UHFFFAOYSA-N
XLogP3.24
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(pyrimidin-5-ylmethyl)-1H-indol-5-amine
CID 62758577
N-(1H-indol-5-ylmethyl)quinoxalin-6-amine
CID 102910076
2-methyl-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine
CID 61283842
N-[(4-methylphenyl)methyl]-1H-indol-5-amine
CID 28662234
N-[(4-ethylphenyl)methyl]-1H-indol-5-amine
CID 28546654
N-(1,3-thiazol-2-ylmethyl)pyridin-4-amine
CID 61285050
N-(1,3-thiazol-2-ylmethyl)-2,3-dihydro-1H-inden-5-amine
CID 63221653
N-(2-methylpropyl)-1H-indol-5-amine
CID 43204243
4-fluoro-3-nitro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657018
2-nitro-4-N-(1,3-thiazol-2-ylmethyl)benzene-1,4-diamine
CID 121334834
4-chloro-3-nitro-N-(1,3-thiazol-2-ylmethyl)aniline
CID 55249883
4-chloro-N-(1,3-thiazol-2-ylmethyl)-1H-pyrrolo[2,3-b]pyridin-6-amine
CID 56911687

Frequently Asked Questions

What is the IUPAC name of N-(1,3-thiazol-2-ylmethyl)-1H-indol-5-amine?
The IUPAC name of N-(1,3-thiazol-2-ylmethyl)-1H-indol-5-amine (CID 63655581) is N-(1,3-thiazol-2-ylmethyl)-1H-indol-5-amine.
What is the SMILES notation for N-(1,3-thiazol-2-ylmethyl)-1H-indol-5-amine?
The canonical SMILES for N-(1,3-thiazol-2-ylmethyl)-1H-indol-5-amine is c1csc(CNc2ccc3[nH]ccc3c2)n1.
What is the InChIKey of N-(1,3-thiazol-2-ylmethyl)-1H-indol-5-amine?
The InChIKey is WUCSDVOIPPAETA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-2-11-9(3-4-13-11)7-10(1)15-8-12-14-5-6-16-12/h1-7,13,15H,8H2.
What are the key properties of N-(1,3-thiazol-2-ylmethyl)-1H-indol-5-amine?
N-(1,3-thiazol-2-ylmethyl)-1H-indol-5-amine has a molecular weight of 229.31 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-thiazol-2-ylmethyl)-1H-indol-5-amine is sourced from PubChem (CID 63655581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).