4,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide

C18H21N3OS — CID 56558142

IUPAC4,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NCc3csc(C(C)C)n3)[nH]c2c1
InChIInChI=1S/C18H21N3OS/c1-10(2)18-20-13(9-23-18)8-19-17(22)16-7-14-12(4)5-11(3)6-15(14)21-16/h5-7,9-10,21H,8H2,1-4H3,(H,19,22)
InChIKeyWFDZPDNDLWJQTP-UHFFFAOYSA-N
MW327.45 g/mol
LogP4.29
Rot. Bonds4

About 4,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide

4,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide (PubChem CID 56558142) has the molecular formula C18H21N3OS and a molecular weight of 327.45 g/mol. Its IUPAC name is 4,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name4,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide
PubChem CID56558142
Molecular FormulaC18H21N3OS
Molecular Weight327.45 g/mol
Exact Mass327.14
IUPAC Name4,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide
SMILESCc1cc(C)c2cc(C(=O)NCc3csc(C(C)C)n3)[nH]c2c1
InChIInChI=1S/C18H21N3OS/c1-10(2)18-20-13(9-23-18)8-19-17(22)16-7-14-12(4)5-11(3)6-15(14)21-16/h5-7,9-10,21H,8H2,1-4H3,(H,19,22)
InChIKeyWFDZPDNDLWJQTP-UHFFFAOYSA-N
XLogP4.29
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.45
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dimethyl-N-[(2S)-2-methylbutyl]-1H-indole-2-carboxamide
CID 124674116
4-methyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728056
1-N,4-N-bis[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzene-1,4-dicarboxamide
CID 56561374
6-methyl-4-oxo-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-pyridine-3-carboxamide
CID 126799862
methyl N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]carbamate
CID 110728086
2-chloro-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]acetamide
CID 166403785
N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]butanamide
CID 110728040
4,6-dimethyl-N-[1-oxo-1-(propylamino)propan-2-yl]-1H-indole-2-carboxamide
CID 46420954
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4,6-dimethyl-1H-indole-2-carboxamide
CID 43045162
N-(1-methoxypropan-2-yl)-4,6-dimethyl-1H-indole-2-carboxamide
CID 2823670
4,6-dimethyl-N-(1,3,4-thiadiazol-2-yl)-1H-indole-2-carboxamide
CID 29370625
3,5-dimethoxy-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]benzamide
CID 110728064

Frequently Asked Questions

What is the IUPAC name of 4,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide?
The IUPAC name of 4,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide (CID 56558142) is 4,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 4,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide?
The canonical SMILES for 4,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide is Cc1cc(C)c2cc(C(=O)NCc3csc(C(C)C)n3)[nH]c2c1.
What is the InChIKey of 4,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide?
The InChIKey is WFDZPDNDLWJQTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3OS/c1-10(2)18-20-13(9-23-18)8-19-17(22)16-7-14-12(4)5-11(3)6-15(14)21-16/h5-7,9-10,21H,8H2,1-4H3,(H,19,22).
What are the key properties of 4,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide?
4,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide has a molecular weight of 327.45 g/mol, XLogP of 4.29, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dimethyl-N-[(2-propan-2-yl-1,3-thiazol-4-yl)methyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 56558142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).