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

C18H22ClN3O2S — CID 60547724

IUPAC2-butyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1nc(C)c(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)s1
InChIInChI=1S/C18H22ClN3O2S/c1-5-6-7-15-20-11(2)16(25-15)17(23)21-12-8-9-14(19)13(10-12)18(24)22(3)4/h8-10H,5-7H2,1-4H3,(H,21,23)
InChIKeyLBTDQRQNNYPRLJ-UHFFFAOYSA-N
MW379.91 g/mol
LogP4.40
Rot. Bonds6

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

2-butyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 60547724) has the molecular formula C18H22ClN3O2S and a molecular weight of 379.91 g/mol. Its IUPAC name is 2-butyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID60547724
Molecular FormulaC18H22ClN3O2S
Molecular Weight379.91 g/mol
Exact Mass379.11
IUPAC Name2-butyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
SMILESCCCCc1nc(C)c(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)s1
InChIInChI=1S/C18H22ClN3O2S/c1-5-6-7-15-20-11(2)16(25-15)17(23)21-12-8-9-14(19)13(10-12)18(24)22(3)4/h8-10H,5-7H2,1-4H3,(H,21,23)
InChIKeyLBTDQRQNNYPRLJ-UHFFFAOYSA-N
XLogP4.40
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.91
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-butyl-N-[4-(methanesulfonamido)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 47031545
2-butyl-N-[3-(2,2-dimethylpropanoylamino)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55688150
3-bromo-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 60778293
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-ethoxy-5-phenylthiophene-2-carboxamide
CID 52652606
N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-3-phenylthiophene-2-carboxamide
CID 55931198
2-butyl-4-methyl-N-[4-(3-methylpyrrolidin-1-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 56556375
2-butyl-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 55686055
5-[(2-amino-2-ethylbutanoyl)amino]-2-chloro-N,N-dimethylbenzamide
CID 79813790
2-butyl-N-(5-chloro-2-pyrazol-1-ylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55807359
methyl 3-[(2-butyl-4-methyl-1,3-thiazole-5-carbonyl)amino]-2-hydroxybenzoate
CID 56543406
2-[(dimethylamino)methyl]-N-(4-ethylphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 110387274
4-methyl-2-propyl-N-(4-pyrimidin-2-yloxyphenyl)-1,3-thiazole-5-carboxamide
CID 51122639

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-butyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide (CID 60547724) is 2-butyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-butyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is CCCCc1nc(C)c(C(=O)Nc2ccc(Cl)c(C(=O)N(C)C)c2)s1.
What is the InChIKey of 2-butyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is LBTDQRQNNYPRLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN3O2S/c1-5-6-7-15-20-11(2)16(25-15)17(23)21-12-8-9-14(19)13(10-12)18(24)22(3)4/h8-10H,5-7H2,1-4H3,(H,21,23).
What are the key properties of 2-butyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide?
2-butyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 379.91 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[4-chloro-3-(dimethylcarbamoyl)phenyl]-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 60547724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).