4-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid

C16H18N2O2S — CID 63918570

IUPAC4-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1cccc(CN(C)c2nc(C3CC3)c(C(=O)O)s2)c1
InChIInChI=1S/C16H18N2O2S/c1-10-4-3-5-11(8-10)9-18(2)16-17-13(12-6-7-12)14(21-16)15(19)20/h3-5,8,12H,6-7,9H2,1-2H3,(H,19,20)
InChIKeyCQMZTXDRZVHJHF-UHFFFAOYSA-N
MW302.40 g/mol
LogP3.66
Rot. Bonds5

About 4-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid

4-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid (PubChem CID 63918570) has the molecular formula C16H18N2O2S and a molecular weight of 302.40 g/mol. Its IUPAC name is 4-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid.

Molecular Properties

Compound Name4-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid
PubChem CID63918570
Molecular FormulaC16H18N2O2S
Molecular Weight302.40 g/mol
Exact Mass302.11
IUPAC Name4-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid
SMILESCc1cccc(CN(C)c2nc(C3CC3)c(C(=O)O)s2)c1
InChIInChI=1S/C16H18N2O2S/c1-10-4-3-5-11(8-10)9-18(2)16-17-13(12-6-7-12)14(21-16)15(19)20/h3-5,8,12H,6-7,9H2,1-2H3,(H,19,20)
InChIKeyCQMZTXDRZVHJHF-UHFFFAOYSA-N
XLogP3.66
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.40
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-cyclopropyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]-1,3-thiazole-5-carboxylic acid
CID 63916634
4-cyclopropyl-2-(N,4-dimethylanilino)-1,3-thiazole-5-carboxylic acid
CID 63916041
4-cyclopropyl-2-(3-methoxy-N-methylanilino)-1,3-thiazole-5-carboxylic acid
CID 63917791
4-cyclopropyl-2-(N-ethyl-4-methylanilino)-1,3-thiazole-5-carboxylic acid
CID 63915844
2-[(3-fluorophenyl)methyl-methylamino]-4-propyl-1,3-thiazole-5-carboxylic acid
CID 62764589
4-chloro-2-[(3-fluorophenyl)methyl-methylamino]-1,3-thiazole-5-carboxylic acid
CID 78979630
4-amino-2-(dimethylamino)-N-methyl-N-[(3-methylphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116663126
4-cyclopropyl-2-[(3-methylbenzoyl)amino]-1,3-thiazole-5-carboxylic acid
CID 82226493
6-chloro-2-[methyl-[(3-methylphenyl)methyl]amino]pyridine-3-carboxylic acid
CID 63379816
3-[2-[methyl-[(3-methylphenyl)methyl]amino]-1,3-thiazol-4-yl]propanoic acid
CID 103487230
4-cyclopropyl-2-[methyl(2-methylbutan-2-yl)amino]-1,3-thiazole-5-carboxylic acid
CID 63966825
4-cyclopropyl-2-[cyclopropyl(2-methylpropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 63915648

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid?
The IUPAC name of 4-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid (CID 63918570) is 4-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid.
What is the SMILES notation for 4-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid?
The canonical SMILES for 4-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid is Cc1cccc(CN(C)c2nc(C3CC3)c(C(=O)O)s2)c1.
What is the InChIKey of 4-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid?
The InChIKey is CQMZTXDRZVHJHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2S/c1-10-4-3-5-11(8-10)9-18(2)16-17-13(12-6-7-12)14(21-16)15(19)20/h3-5,8,12H,6-7,9H2,1-2H3,(H,19,20).
What are the key properties of 4-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid?
4-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid has a molecular weight of 302.40 g/mol, XLogP of 3.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-[methyl-[(3-methylphenyl)methyl]amino]-1,3-thiazole-5-carboxylic acid is sourced from PubChem (CID 63918570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).