4-(1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine

C12H11N3S — CID 912884

IUPAC4-(1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C12H11N3S/c1-13-12-15-11(7-16-12)9-6-14-10-5-3-2-4-8(9)10/h2-7,14H,1H3,(H,13,15)
InChIKeyLUDSCLCPTPEDMN-UHFFFAOYSA-N
MW229.31 g/mol
LogP3.33
Rot. Bonds2

About 4-(1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine

4-(1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine (PubChem CID 912884) has the molecular formula C12H11N3S and a molecular weight of 229.31 g/mol. Its IUPAC name is 4-(1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-(1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine
PubChem CID912884
Molecular FormulaC12H11N3S
Molecular Weight229.31 g/mol
Exact Mass229.07
IUPAC Name4-(1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine
SMILESCNc1nc(-c2c[nH]c3ccccc23)cs1
InChIInChI=1S/C12H11N3S/c1-13-12-15-11(7-16-12)9-6-14-10-5-3-2-4-8(9)10/h2-7,14H,1H3,(H,13,15)
InChIKeyLUDSCLCPTPEDMN-UHFFFAOYSA-N
XLogP3.33
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.31
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

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4-(1,2-dimethyl-1H-indol-3-yl)-1,3-thiazol-2-amine
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(5-Methyl-pyridin-2-yl)-(4-phenyl-thiazol-2-yl)-amine
CID 972993
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Frequently Asked Questions

What is the IUPAC name of 4-(1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine?
The IUPAC name of 4-(1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine (CID 912884) is 4-(1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-(1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-(1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine is CNc1nc(-c2c[nH]c3ccccc23)cs1.
What is the InChIKey of 4-(1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine?
The InChIKey is LUDSCLCPTPEDMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3S/c1-13-12-15-11(7-16-12)9-6-14-10-5-3-2-4-8(9)10/h2-7,14H,1H3,(H,13,15).
What are the key properties of 4-(1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine?
4-(1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine has a molecular weight of 229.31 g/mol, XLogP of 3.33, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-indol-3-yl)-N-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 912884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).