2-tert-butyl-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

C18H22ClN3O2S — CID 47086686

IUPAC2-tert-butyl-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C18H22ClN3O2S/c1-10-14(25-17(20-10)18(2,3)4)15(23)21-13-9-11(7-8-12(13)19)16(24)22(5)6/h7-9H,1-6H3,(H,21,23)
InChIKeyRKJSKSDZGPLWDW-UHFFFAOYSA-N
MW379.91 g/mol
LogP4.36
Rot. Bonds3

About 2-tert-butyl-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide

2-tert-butyl-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 47086686) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is 2-tert-butyl-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID47086686
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC Name2-tert-butyl-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(C(C)(C)C)sc1C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl
InChIInChI=1S/C18H22ClN3O2S/c1-10-14(25-17(20-10)18(2,3)4)15(23)21-13-9-11(7-8-12(13)19)16(24)22(5)6/h7-9H,1-6H3,(H,21,23)
InChIKeyRKJSKSDZGPLWDW-UHFFFAOYSA-N
XLogP4.36
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2-tert-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-methylbenzoic acid
CID 119219452
3-[(2-amino-2-methylpropanoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 61265397
5-chloro-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-1,3,4-thiadiazole-2-carboxamide
CID 80618132
methyl 3-[(2-amino-4-methyl-1,3-thiazole-5-carbonyl)amino]-4-chlorobenzoate
CID 62794444
3-[[2-(tert-butylamino)acetyl]amino]-4-chloro-N,N-dimethylbenzamide
CID 78954083
3-[(4-acetamidobenzoyl)amino]-4-chloro-N,N-dimethylbenzamide
CID 38957858
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 27678340
N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-3,4-difluorobenzamide
CID 38956363
4-chloro-N,N-dimethyl-3-[[2-(methylamino)acetyl]amino]benzamide
CID 43697266
(E)-4-[2-chloro-5-(dimethylcarbamoyl)anilino]-4-oxobut-2-enoic acid
CID 60940815
4-chloro-3-[(2-chloro-5-methylsulfanylbenzoyl)amino]-N,N-dimethylbenzamide
CID 38957688
3-[(4-tert-butyl-2,6-dimethylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
CID 39833364

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-tert-butyl-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 47086686) is 2-tert-butyl-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-tert-butyl-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-tert-butyl-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(C(C)(C)C)sc1C(=O)Nc1cc(C(=O)N(C)C)ccc1Cl.
What is the InChIKey of 2-tert-butyl-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is RKJSKSDZGPLWDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2S/c1-10-14(25-17(20-10)18(2,3)4)15(23)21-13-9-11(7-8-12(13)19)16(24)22(5)6/h7-9H,1-6H3,(H,21,23).
What are the key properties of 2-tert-butyl-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-tert-butyl-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 379.91 g/mol, XLogP of 4.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-N-[2-chloro-5-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 47086686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).