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

C26H27FN4OS — CID 67231578

IUPAC2-(aminomethyl)-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cccc(-c2sc(CN)nc2C(=O)N(CCC2=CN=C3CC=C(F)C=C23)CC2CC2)c1
InChIInChI=1S/C26H27FN4OS/c1-16-3-2-4-18(11-16)25-24(30-23(13-28)33-25)26(32)31(15-17-5-6-17)10-9-19-14-29-22-8-7-20(27)12-21(19)22/h2-4,7,11-12,14,17H,5-6,8-10,13,15,28H2,1H3
InChIKeyPGFRTSMVMLXYBZ-UHFFFAOYSA-N
MW462.59 g/mol
LogP5.34
Rot. Bonds8

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

2-(aminomethyl)-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide (PubChem CID 67231578) has the molecular formula C26H27FN4OS and a molecular weight of 462.59 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide
PubChem CID67231578
Molecular FormulaC26H27FN4OS
Molecular Weight462.59 g/mol
Exact Mass462.19
IUPAC Name2-(aminomethyl)-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide
SMILESCc1cccc(-c2sc(CN)nc2C(=O)N(CCC2=CN=C3CC=C(F)C=C23)CC2CC2)c1
InChIInChI=1S/C26H27FN4OS/c1-16-3-2-4-18(11-16)25-24(30-23(13-28)33-25)26(32)31(15-17-5-6-17)10-9-19-14-29-22-8-7-20(27)12-21(19)22/h2-4,7,11-12,14,17H,5-6,8-10,13,15,28H2,1H3
InChIKeyPGFRTSMVMLXYBZ-UHFFFAOYSA-N
XLogP5.34
TPSA71.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500462.59
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(aminomethyl)-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-5-(3-methylphenyl)-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

Related Compounds

2-(aminomethyl)-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-5-(2-methylphenyl)-1,3-thiazole-4-carboxamide
CID 67237014
5-(3-cyanophenyl)-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67231688
N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 143975200
2-amino-N-(cyclopropylmethyl)-N-[2-(6-methoxy-7H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 87318491
2-amino-N-(cyclopropylmethyl)-5-(3-methylphenyl)-N-[2-(3-methylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 87317957
N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 143975206
2-amino-N-(cyclopropylmethyl)-N-[2-(3,5-dimethoxyphenyl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 87317802
N-(2-amino-2-oxoethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-3-phenylpyrazine-2-carboxamide
CID 67231226
3-(3,4-dimethylphenyl)-N-ethyl-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]pyrazine-2-carboxamide
CID 67231840
2-amino-N-(cyclopropylmethyl)-N-[2-(5-methyl-1H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 87384174
N-(cyclopropylmethyl)-2-(dimethylamino)-N-[2-(5,6-dimethyl-1H-benzimidazol-2-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide
CID 67395774
N-(cyclopropylmethyl)-5-(3,4-dimethylphenyl)-N-[2-(2,4-dimethylphenyl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 67394766

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide (CID 67231578) is 2-(aminomethyl)-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide is Cc1cccc(-c2sc(CN)nc2C(=O)N(CCC2=CN=C3CC=C(F)C=C23)CC2CC2)c1.
What is the InChIKey of 2-(aminomethyl)-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide?
The InChIKey is PGFRTSMVMLXYBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27FN4OS/c1-16-3-2-4-18(11-16)25-24(30-23(13-28)33-25)26(32)31(15-17-5-6-17)10-9-19-14-29-22-8-7-20(27)12-21(19)22/h2-4,7,11-12,14,17H,5-6,8-10,13,15,28H2,1H3.
What are the key properties of 2-(aminomethyl)-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide has a molecular weight of 462.59 g/mol, XLogP of 5.34, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(cyclopropylmethyl)-N-[2-(5-fluoro-7H-indol-3-yl)ethyl]-5-(3-methylphenyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 67231578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).