N-[4-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

C19H21ClN4O2S2 — CID 25265036

IUPACN-[4-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(Cl)cc1Nc1ncc(-c2nc(NC(=O)C(C)(C)C)sc2C)s1
InChIInChI=1S/C19H21ClN4O2S2/c1-10-15(23-18(27-10)24-16(25)19(2,3)4)14-9-21-17(28-14)22-12-8-11(20)6-7-13(12)26-5/h6-9H,1-5H3,(H,21,22)(H,23,24,25)
InChIKeyKTQOZVZSMOYHKU-UHFFFAOYSA-N
MW436.99 g/mol
LogP5.97
Rot. Bonds5

About N-[4-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide

N-[4-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (PubChem CID 25265036) has the molecular formula C19H21ClN4O2S2 and a molecular weight of 436.99 g/mol. Its IUPAC name is N-[4-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.

Molecular Properties

Compound NameN-[4-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
PubChem CID25265036
Molecular FormulaC19H21ClN4O2S2
Molecular Weight436.99 g/mol
Exact Mass436.08
IUPAC NameN-[4-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide
SMILESCOc1ccc(Cl)cc1Nc1ncc(-c2nc(NC(=O)C(C)(C)C)sc2C)s1
InChIInChI=1S/C19H21ClN4O2S2/c1-10-15(23-18(27-10)24-16(25)19(2,3)4)14-9-21-17(28-14)22-12-8-11(20)6-7-13(12)26-5/h6-9H,1-5H3,(H,21,22)(H,23,24,25)
InChIKeyKTQOZVZSMOYHKU-UHFFFAOYSA-N
XLogP5.97
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.99
LogP ≤ 55.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[3-[2-(5-chloro-2-methoxyanilino)-5-methyl-1,3-thiazol-4-yl]phenyl]-2,2-dimethylpropanamide
CID 25130141
N-[6-(5-chloro-2-methoxyanilino)pyridazin-3-yl]-2,2-dimethylpropanamide
CID 113047959
N-(5-chloro-2-methoxyphenyl)-2-(2,2-dimethylpropanoylamino)-5,8-dihydro-4H-pyrrolo[2,3-e][1,3]benzothiazole-7-carboxamide
CID 155815011
2,5-dichloro-N-(5-chloro-2-methoxyphenyl)pyrimidin-4-amine
CID 79632991
N-(5-chloro-2-methoxyphenyl)-2-(3,4-dimethoxyanilino)-1,3-thiazole-4-carboxamide
CID 16955450
2-(4-chlorophenoxy)-N-[4-(4-methoxy-3-methylphenyl)-5-methyl-1,3-thiazol-2-yl]propanamide
CID 108761142
5-(5-chloro-2-methoxyanilino)-N-(2,3-dimethylphenyl)pyrazine-2-carboxamide
CID 109291361
methyl 2-(5-chloro-2-fluoroanilino)-1,3-thiazole-5-carboxylate
CID 80572347
2-[(5-chloro-2-methoxyphenyl)carbamoyl-methylamino]-2-methylpropanoic acid
CID 62822492
N-(5-chloro-2-methoxyphenyl)-2-methyl-2-(4-methylphenyl)propanamide
CID 113198111
N-[4-(3-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(2-methoxyphenoxy)acetamide
CID 2541899
N-(5-chloro-2-methoxyphenyl)-N'-(2,3-dimethylphenyl)-2,2-dimethylpropanediamide
CID 108968143

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The IUPAC name of N-[4-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide (CID 25265036) is N-[4-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide.
What is the SMILES notation for N-[4-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The canonical SMILES for N-[4-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is COc1ccc(Cl)cc1Nc1ncc(-c2nc(NC(=O)C(C)(C)C)sc2C)s1.
What is the InChIKey of N-[4-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
The InChIKey is KTQOZVZSMOYHKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2S2/c1-10-15(23-18(27-10)24-16(25)19(2,3)4)14-9-21-17(28-14)22-12-8-11(20)6-7-13(12)26-5/h6-9H,1-5H3,(H,21,22)(H,23,24,25).
What are the key properties of N-[4-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide?
N-[4-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide has a molecular weight of 436.99 g/mol, XLogP of 5.97, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(5-chloro-2-methoxyanilino)-1,3-thiazol-5-yl]-5-methyl-1,3-thiazol-2-yl]-2,2-dimethylpropanamide is sourced from PubChem (CID 25265036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).