N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide

C26H26FN3OS — CID 143975200

IUPACN-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2scnc2C(=O)N(CCC2=CN=C3CC=C(F)C=C23)CC2CC2)cc1C
InChIInChI=1S/C26H26FN3OS/c1-16-3-6-19(11-17(16)2)25-24(29-15-32-25)26(31)30(14-18-4-5-18)10-9-20-13-28-23-8-7-21(27)12-22(20)23/h3,6-7,11-13,15,18H,4-5,8-10,14H2,1-2H3
InChIKeyBDBAYCJXGRAFSZ-UHFFFAOYSA-N
MW447.58 g/mol
LogP6.19
Rot. Bonds7

About N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide

N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 143975200) has the molecular formula C26H26FN3OS and a molecular weight of 447.58 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID143975200
Molecular FormulaC26H26FN3OS
Molecular Weight447.58 g/mol
Exact Mass447.18
IUPAC NameN-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCc1ccc(-c2scnc2C(=O)N(CCC2=CN=C3CC=C(F)C=C23)CC2CC2)cc1C
InChIInChI=1S/C26H26FN3OS/c1-16-3-6-19(11-17(16)2)25-24(29-15-32-25)26(31)30(14-18-4-5-18)10-9-20-13-28-23-8-7-21(27)12-22(20)23/h3,6-7,11-13,15,18H,4-5,8-10,14H2,1-2H3
InChIKeyBDBAYCJXGRAFSZ-UHFFFAOYSA-N
XLogP6.19
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.58
LogP ≤ 56.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 143975200) is N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide is Cc1ccc(-c2scnc2C(=O)N(CCC2=CN=C3CC=C(F)C=C23)CC2CC2)cc1C.
What is the InChIKey of N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is BDBAYCJXGRAFSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26FN3OS/c1-16-3-6-19(11-17(16)2)25-24(29-15-32-25)26(31)30(14-18-4-5-18)10-9-20-13-28-23-8-7-21(27)12-22(20)23/h3,6-7,11-13,15,18H,4-5,8-10,14H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 447.58 g/mol, XLogP of 6.19, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 143975200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).