2-N-cyclopropyl-4-N-[(3-methylphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide

C16H17N3O2S — CID 53158485

IUPAC2-N-cyclopropyl-4-N-[(3-methylphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide
SMILESCc1cccc(CNC(=O)c2csc(C(=O)NC3CC3)n2)c1
InChIInChI=1S/C16H17N3O2S/c1-10-3-2-4-11(7-10)8-17-14(20)13-9-22-16(19-13)15(21)18-12-5-6-12/h2-4,7,9,12H,5-6,8H2,1H3,(H,17,20)(H,18,21)
InChIKeyFQCVCZVULCOXOG-UHFFFAOYSA-N
MW315.40 g/mol
LogP2.27
Rot. Bonds5

About 2-N-cyclopropyl-4-N-[(3-methylphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide

2-N-cyclopropyl-4-N-[(3-methylphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide (PubChem CID 53158485) has the molecular formula C16H17N3O2S and a molecular weight of 315.40 g/mol. Its IUPAC name is 2-N-cyclopropyl-4-N-[(3-methylphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-cyclopropyl-4-N-[(3-methylphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide
PubChem CID53158485
Molecular FormulaC16H17N3O2S
Molecular Weight315.40 g/mol
Exact Mass315.10
IUPAC Name2-N-cyclopropyl-4-N-[(3-methylphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide
SMILESCc1cccc(CNC(=O)c2csc(C(=O)NC3CC3)n2)c1
InChIInChI=1S/C16H17N3O2S/c1-10-3-2-4-11(7-10)8-17-14(20)13-9-22-16(19-13)15(21)18-12-5-6-12/h2-4,7,9,12H,5-6,8H2,1H3,(H,17,20)(H,18,21)
InChIKeyFQCVCZVULCOXOG-UHFFFAOYSA-N
XLogP2.27
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-cycloheptyl-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097432
2-N-cyclopropyl-4-N-(2-methylpropyl)-1,3-thiazole-2,4-dicarboxamide
CID 53158467
2-(aminomethyl)-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66378027
6-N-(1,1-dioxothiolan-3-yl)-2-N-[(3-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097427
4-N-cycloheptyl-1-N-[(3-methylphenyl)methyl]benzene-1,4-dicarboxamide
CID 109046875
2-N-cyclopropyl-4-N,4-N-diethyl-1,3-thiazole-2,4-dicarboxamide
CID 53158448
6-N-[(3-methylphenyl)methyl]-2-N-[(4-methylphenyl)methyl]pyridine-2,6-dicarboxamide
CID 109097409
2-[1-(2,4-dimethyl-1,3-thiazole-5-carbonyl)piperidin-4-yl]-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 23733281
4-N,6-N-bis[(3-methylphenyl)methyl]pyrimidine-4,6-dicarboxamide
CID 5289109
2-(cyclohexylamino)-6-methyl-N-[(3-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109322632
N-[1-[(3-methylphenyl)methyl]piperidin-4-yl]-2-pyrimidin-2-yl-1,3-thiazole-4-carboxamide
CID 87035940
2-(1-amino-3-methylsulfanylpropyl)-N-[(3-methylphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3852970

Frequently Asked Questions

What is the IUPAC name of 2-N-cyclopropyl-4-N-[(3-methylphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide?
The IUPAC name of 2-N-cyclopropyl-4-N-[(3-methylphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide (CID 53158485) is 2-N-cyclopropyl-4-N-[(3-methylphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide.
What is the SMILES notation for 2-N-cyclopropyl-4-N-[(3-methylphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide?
The canonical SMILES for 2-N-cyclopropyl-4-N-[(3-methylphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide is Cc1cccc(CNC(=O)c2csc(C(=O)NC3CC3)n2)c1.
What is the InChIKey of 2-N-cyclopropyl-4-N-[(3-methylphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide?
The InChIKey is FQCVCZVULCOXOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2S/c1-10-3-2-4-11(7-10)8-17-14(20)13-9-22-16(19-13)15(21)18-12-5-6-12/h2-4,7,9,12H,5-6,8H2,1H3,(H,17,20)(H,18,21).
What are the key properties of 2-N-cyclopropyl-4-N-[(3-methylphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide?
2-N-cyclopropyl-4-N-[(3-methylphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide has a molecular weight of 315.40 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-cyclopropyl-4-N-[(3-methylphenyl)methyl]-1,3-thiazole-2,4-dicarboxamide is sourced from PubChem (CID 53158485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).