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

C13H13N3S — CID 2033398

IUPAC5-methyl-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine
SMILESCc1[nH]c2ccccc2c1-c1nc(N)sc1C
InChIInChI=1S/C13H13N3S/c1-7-11(12-8(2)17-13(14)16-12)9-5-3-4-6-10(9)15-7/h3-6,15H,1-2H3,(H2,14,16)
InChIKeyBQPCKAMFBKBUND-UHFFFAOYSA-N
MW243.34 g/mol
LogP3.49
Rot. Bonds1

About 5-methyl-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine

5-methyl-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine (PubChem CID 2033398) has the molecular formula C13H13N3S and a molecular weight of 243.34 g/mol. Its IUPAC name is 5-methyl-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-methyl-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine
PubChem CID2033398
Molecular FormulaC13H13N3S
Molecular Weight243.34 g/mol
Exact Mass243.08
IUPAC Name5-methyl-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine
SMILESCc1[nH]c2ccccc2c1-c1nc(N)sc1C
InChIInChI=1S/C13H13N3S/c1-7-11(12-8(2)17-13(14)16-12)9-5-3-4-6-10(9)15-7/h3-6,15H,1-2H3,(H2,14,16)
InChIKeyBQPCKAMFBKBUND-UHFFFAOYSA-N
XLogP3.49
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.34
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

Indole, 3-(N-2-thiazolylformimidoyl)-
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N-(4-tert-butylthiazol-2-yl)-1H-indol-4-amine
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1-[2-(1H-Indol-3-yl)-ethyl]-3-thiazol-2-yl-thiourea
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4-(1,2-dimethyl-1H-indol-3-yl)-1,3-thiazol-2-amine
CID 938493
4-(1H-indol-3-yl)-1,3-thiazol-2-amine
CID 804966
Benzothiazol-2-yl-o-tolyl-amine
CID 2360617
N-[4-(1H-Indol-3-yl)-thiazol-2-ylmethyl]-guanidine
CID 15636963
4-(1H-indol-3-ylmethyl)-1,3-thiazole
CID 11528610
4-(1H-indol-3-ylmethyl)-2-methyl-1,3-thiazole
CID 11673059
4-(1,2,5-Trimethylindol-3-yl)-1,3-thiazol-2-amine
CID 1861599
4-(7-ethyl-1H-indol-3-yl)-1,3-thiazol-2-amine
CID 2118298
2-(2-hydroxyethylsulfanyl)-N-[4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-yl]acetamide
CID 2462270

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 5-methyl-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine (CID 2033398) is 5-methyl-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-methyl-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-methyl-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine is Cc1[nH]c2ccccc2c1-c1nc(N)sc1C.
What is the InChIKey of 5-methyl-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine?
The InChIKey is BQPCKAMFBKBUND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3S/c1-7-11(12-8(2)17-13(14)16-12)9-5-3-4-6-10(9)15-7/h3-6,15H,1-2H3,(H2,14,16).
What are the key properties of 5-methyl-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine?
5-methyl-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine has a molecular weight of 243.34 g/mol, XLogP of 3.49, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-(2-methyl-1H-indol-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 2033398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).