N-cyclopropyl-3-[[4-[3-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]amino]-4-methylbenzamide

C24H24N4O2S — CID 141106921

IUPACN-cyclopropyl-3-[[4-[3-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Nc1nc(-c2cccc(C(=O)NC3CC3)c2)cs1
InChIInChI=1S/C24H24N4O2S/c1-14-5-6-17(23(30)26-19-9-10-19)12-20(14)27-24-28-21(13-31-24)15-3-2-4-16(11-15)22(29)25-18-7-8-18/h2-6,11-13,18-19H,7-10H2,1H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyRIJJQHBHHKHLIG-UHFFFAOYSA-N
MW432.55 g/mol
LogP4.65
Rot. Bonds7

About N-cyclopropyl-3-[[4-[3-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]amino]-4-methylbenzamide

N-cyclopropyl-3-[[4-[3-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]amino]-4-methylbenzamide (PubChem CID 141106921) has the molecular formula C24H24N4O2S and a molecular weight of 432.55 g/mol. Its IUPAC name is N-cyclopropyl-3-[[4-[3-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]amino]-4-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[[4-[3-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]amino]-4-methylbenzamide
PubChem CID141106921
Molecular FormulaC24H24N4O2S
Molecular Weight432.55 g/mol
Exact Mass432.16
IUPAC NameN-cyclopropyl-3-[[4-[3-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]amino]-4-methylbenzamide
SMILESCc1ccc(C(=O)NC2CC2)cc1Nc1nc(-c2cccc(C(=O)NC3CC3)c2)cs1
InChIInChI=1S/C24H24N4O2S/c1-14-5-6-17(23(30)26-19-9-10-19)12-20(14)27-24-28-21(13-31-24)15-3-2-4-16(11-15)22(29)25-18-7-8-18/h2-6,11-13,18-19H,7-10H2,1H3,(H,25,29)(H,26,30)(H,27,28)
InChIKeyRIJJQHBHHKHLIG-UHFFFAOYSA-N
XLogP4.65
TPSA83.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 54.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-N-(oxolan-3-ylmethyl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 59662726
methyl 3-[2-[5-(cyclopropylcarbamoyl)-2-methylanilino]-5-(3-phenylpropanoyl)-1,3-thiazol-4-yl]benzoate
CID 59140598
4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 11385486
N-(2-fluoro-4-methylphenyl)-4-methyl-3-[(4-pyridin-4-yl-1,3-thiazol-2-yl)amino]benzamide
CID 11774422
N-cyclopropyl-4-(3-methylphenyl)-1,3-thiazol-2-amine
CID 62941085
3-fluoro-4-methyl-N-[4-methyl-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzamide
CID 59651304
N-[4-[3-(cyclopentylcarbamoyl)phenyl]-1,3-thiazol-2-yl]-15-methyltetracyclo[6.6.2.02,7.09,14]hexadeca-2,4,6,9,11,13-hexaene-15-carboxamide
CID 23596062
2-[5-(cyclopropylcarbamoyl)-2-methylanilino]-4-[4-(ethylcarbamoyl)phenyl]-1,3-thiazole-5-carboxamide
CID 142981914
2-methyl-N-[3-[2-(2-methylanilino)-1,3-thiazol-4-yl]phenyl]benzamide
CID 3418788
2-chloro-N-[3-[2-(5-chloro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 5027218
N-[3-[2-(5-chloro-2-methylanilino)-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide
CID 5135607
4-methyl-N-(1-methylindol-6-yl)-3-[(4-pyridin-3-yl-1,3-thiazol-2-yl)amino]benzamide
CID 59662707

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[[4-[3-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]amino]-4-methylbenzamide?
The IUPAC name of N-cyclopropyl-3-[[4-[3-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]amino]-4-methylbenzamide (CID 141106921) is N-cyclopropyl-3-[[4-[3-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]amino]-4-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-3-[[4-[3-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]amino]-4-methylbenzamide?
The canonical SMILES for N-cyclopropyl-3-[[4-[3-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]amino]-4-methylbenzamide is Cc1ccc(C(=O)NC2CC2)cc1Nc1nc(-c2cccc(C(=O)NC3CC3)c2)cs1.
What is the InChIKey of N-cyclopropyl-3-[[4-[3-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]amino]-4-methylbenzamide?
The InChIKey is RIJJQHBHHKHLIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2S/c1-14-5-6-17(23(30)26-19-9-10-19)12-20(14)27-24-28-21(13-31-24)15-3-2-4-16(11-15)22(29)25-18-7-8-18/h2-6,11-13,18-19H,7-10H2,1H3,(H,25,29)(H,26,30)(H,27,28).
What are the key properties of N-cyclopropyl-3-[[4-[3-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]amino]-4-methylbenzamide?
N-cyclopropyl-3-[[4-[3-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]amino]-4-methylbenzamide has a molecular weight of 432.55 g/mol, XLogP of 4.65, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[[4-[3-(cyclopropylcarbamoyl)phenyl]-1,3-thiazol-2-yl]amino]-4-methylbenzamide is sourced from PubChem (CID 141106921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).