1-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)indole-4-carboxamide

C15H16N4OS — CID 45494179

IUPAC1-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)indole-4-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2cccc3c2ccn3C)s1
InChIInChI=1S/C15H16N4OS/c1-9(2)14-17-18-15(21-14)16-13(20)11-5-4-6-12-10(11)7-8-19(12)3/h4-9H,1-3H3,(H,16,18,20)
InChIKeyIPDSSMIKXHCRJH-UHFFFAOYSA-N
MW300.39 g/mol
LogP3.41
Rot. Bonds3

About 1-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)indole-4-carboxamide

1-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)indole-4-carboxamide (PubChem CID 45494179) has the molecular formula C15H16N4OS and a molecular weight of 300.39 g/mol. Its IUPAC name is 1-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)indole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)indole-4-carboxamide
PubChem CID45494179
Molecular FormulaC15H16N4OS
Molecular Weight300.39 g/mol
Exact Mass300.10
IUPAC Name1-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)indole-4-carboxamide
SMILESCC(C)c1nnc(NC(=O)c2cccc3c2ccn3C)s1
InChIInChI=1S/C15H16N4OS/c1-9(2)14-17-18-15(21-14)16-13(20)11-5-4-6-12-10(11)7-8-19(12)3/h4-9H,1-3H3,(H,16,18,20)
InChIKeyIPDSSMIKXHCRJH-UHFFFAOYSA-N
XLogP3.41
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.39
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)quinoline-5-carboxamide
CID 24597682
2-iodo-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 1087655
2-propan-2-ylsulfanyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)benzamide
CID 17224658
1-methyl-N-(1-methylimidazol-2-yl)indole-4-carboxamide
CID 134712669
ethyl 2-[(1-methylindole-4-carbonyl)amino]-1,3-thiazole-4-carboxylate
CID 71702427
N-(2,3-dichlorophenyl)-1-methylindole-4-carboxamide
CID 112524553
1-methyl-N-(4-phenoxyphenyl)indole-4-carboxamide
CID 112523940
N-(1H-indazol-3-yl)-1-methylindole-4-carboxamide
CID 112527943
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-chlorobenzamide
CID 82176351
1-methyl-N-(3-methylsulfanylphenyl)indole-4-carboxamide
CID 51053502
N-[2-[(5-propan-2-yl-1,3,4-thiadiazol-2-yl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 24668236
N-[5-(1-aminoethyl)-1,3,4-thiadiazol-2-yl]-2-fluorobenzamide
CID 82176376

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)indole-4-carboxamide?
The IUPAC name of 1-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)indole-4-carboxamide (CID 45494179) is 1-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)indole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)indole-4-carboxamide?
The canonical SMILES for 1-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)indole-4-carboxamide is CC(C)c1nnc(NC(=O)c2cccc3c2ccn3C)s1.
What is the InChIKey of 1-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)indole-4-carboxamide?
The InChIKey is IPDSSMIKXHCRJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4OS/c1-9(2)14-17-18-15(21-14)16-13(20)11-5-4-6-12-10(11)7-8-19(12)3/h4-9H,1-3H3,(H,16,18,20).
What are the key properties of 1-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)indole-4-carboxamide?
1-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)indole-4-carboxamide has a molecular weight of 300.39 g/mol, XLogP of 3.41, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-(5-propan-2-yl-1,3,4-thiadiazol-2-yl)indole-4-carboxamide is sourced from PubChem (CID 45494179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).