1-methyl-2-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)indole-5-carboxamide

C22H21N3OS — CID 22170599

IUPAC1-methyl-2-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)indole-5-carboxamide
SMILESCC(C)c1cnc(NC(=O)c2ccc3c(c2)cc(-c2ccccc2)n3C)s1
InChIInChI=1S/C22H21N3OS/c1-14(2)20-13-23-22(27-20)24-21(26)16-9-10-18-17(11-16)12-19(25(18)3)15-7-5-4-6-8-15/h4-14H,1-3H3,(H,23,24,26)
InChIKeyZKRHQXIDIPPYDZ-UHFFFAOYSA-N
MW375.50 g/mol
LogP5.68
Rot. Bonds4

About 1-methyl-2-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)indole-5-carboxamide

1-methyl-2-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)indole-5-carboxamide (PubChem CID 22170599) has the molecular formula C22H21N3OS and a molecular weight of 375.50 g/mol. Its IUPAC name is 1-methyl-2-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)indole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-2-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)indole-5-carboxamide
PubChem CID22170599
Molecular FormulaC22H21N3OS
Molecular Weight375.50 g/mol
Exact Mass375.14
IUPAC Name1-methyl-2-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)indole-5-carboxamide
SMILESCC(C)c1cnc(NC(=O)c2ccc3c(c2)cc(-c2ccccc2)n3C)s1
InChIInChI=1S/C22H21N3OS/c1-14(2)20-13-23-22(27-20)24-21(26)16-9-10-18-17(11-16)12-19(25(18)3)15-7-5-4-6-8-15/h4-14H,1-3H3,(H,23,24,26)
InChIKeyZKRHQXIDIPPYDZ-UHFFFAOYSA-N
XLogP5.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.50
LogP ≤ 55.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoic acid
CID 87952464
3,4-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170799
3-chloro-4-(4-methylpiperazin-1-yl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170659
methyl 4-[(5-propan-2-yl-1,3-thiazol-2-yl)carbamoyl]benzoate
CID 22170458
4-(hydroxymethyl)-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170724
4-methylsulfanyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170516
4-[(2-phenylsulfanylacetyl)amino]-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170823
3-nitro-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170547
4-cyano-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170568
4-ethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170489
3-methyl-N-(5-phenyl-1,3-thiazol-2-yl)benzamide
CID 58033086
3,5-dimethoxy-N-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 22170540

Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)indole-5-carboxamide?
The IUPAC name of 1-methyl-2-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)indole-5-carboxamide (CID 22170599) is 1-methyl-2-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)indole-5-carboxamide.
What is the SMILES notation for 1-methyl-2-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)indole-5-carboxamide?
The canonical SMILES for 1-methyl-2-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)indole-5-carboxamide is CC(C)c1cnc(NC(=O)c2ccc3c(c2)cc(-c2ccccc2)n3C)s1.
What is the InChIKey of 1-methyl-2-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)indole-5-carboxamide?
The InChIKey is ZKRHQXIDIPPYDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3OS/c1-14(2)20-13-23-22(27-20)24-21(26)16-9-10-18-17(11-16)12-19(25(18)3)15-7-5-4-6-8-15/h4-14H,1-3H3,(H,23,24,26).
What are the key properties of 1-methyl-2-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)indole-5-carboxamide?
1-methyl-2-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)indole-5-carboxamide has a molecular weight of 375.50 g/mol, XLogP of 5.68, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-phenyl-N-(5-propan-2-yl-1,3-thiazol-2-yl)indole-5-carboxamide is sourced from PubChem (CID 22170599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).