2-chloro-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoylamino]-N,N-dimethylbenzamide

C16H19ClN4O2S — CID 118794258

IUPAC2-chloro-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoylamino]-N,N-dimethylbenzamide
SMILESCc1nc(C)c(CNC(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)s1
InChIInChI=1S/C16H19ClN4O2S/c1-9-14(24-10(2)19-9)8-18-16(23)20-11-5-6-12(13(17)7-11)15(22)21(3)4/h5-7H,8H2,1-4H3,(H2,18,20,23)
InChIKeyGBARTHAPRJUBTQ-UHFFFAOYSA-N
MW366.87 g/mol
LogP3.44
Rot. Bonds4

About 2-chloro-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoylamino]-N,N-dimethylbenzamide

2-chloro-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoylamino]-N,N-dimethylbenzamide (PubChem CID 118794258) has the molecular formula C16H19ClN4O2S and a molecular weight of 366.87 g/mol. Its IUPAC name is 2-chloro-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoylamino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoylamino]-N,N-dimethylbenzamide
PubChem CID118794258
Molecular FormulaC16H19ClN4O2S
Molecular Weight366.87 g/mol
Exact Mass366.09
IUPAC Name2-chloro-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoylamino]-N,N-dimethylbenzamide
SMILESCc1nc(C)c(CNC(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)s1
InChIInChI=1S/C16H19ClN4O2S/c1-9-14(24-10(2)19-9)8-18-16(23)20-11-5-6-12(13(17)7-11)15(22)21(3)4/h5-7H,8H2,1-4H3,(H2,18,20,23)
InChIKeyGBARTHAPRJUBTQ-UHFFFAOYSA-N
XLogP3.44
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.87
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,4-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 121122907
2-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-4-fluorobenzamide
CID 121122762
1-(3-chloro-4-methylphenyl)-3-[[4-methyl-2-(2-methylphenyl)-1,3-thiazol-5-yl]methyl]urea
CID 90547317
1-(3-chloro-4-methylphenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123341
1-[4-(2-cyanopropan-2-yl)phenyl]-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 71992691
1-(4-chlorophenyl)-3-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]urea
CID 121123297
1-[[2-(2-chlorophenyl)-4-methyl-1,3-thiazol-5-yl]methyl]-3-(3,4-dimethoxyphenyl)urea
CID 121123334
N-[2-(3,4-dichloroanilino)-2-oxoethyl]-N,2,4-trimethyl-1,3-thiazole-5-carboxamide
CID 78771511
2-chloro-N-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]-5-nitrobenzamide
CID 121122574
1-(2,5-dimethoxyphenyl)-3-[(2,4-dimethyl-1,3-thiazol-5-yl)methyl]urea
CID 121122910
2-chloro-4-(pyridin-4-ylmethylcarbamoylamino)benzoic acid
CID 61398635
1-(4-chlorophenyl)-3-[(4-methyl-2-thiophen-2-yl-1,3-thiazol-5-yl)methyl]urea
CID 90546926

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoylamino]-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoylamino]-N,N-dimethylbenzamide (CID 118794258) is 2-chloro-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoylamino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoylamino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoylamino]-N,N-dimethylbenzamide is Cc1nc(C)c(CNC(=O)Nc2ccc(C(=O)N(C)C)c(Cl)c2)s1.
What is the InChIKey of 2-chloro-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoylamino]-N,N-dimethylbenzamide?
The InChIKey is GBARTHAPRJUBTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19ClN4O2S/c1-9-14(24-10(2)19-9)8-18-16(23)20-11-5-6-12(13(17)7-11)15(22)21(3)4/h5-7H,8H2,1-4H3,(H2,18,20,23).
What are the key properties of 2-chloro-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoylamino]-N,N-dimethylbenzamide?
2-chloro-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoylamino]-N,N-dimethylbenzamide has a molecular weight of 366.87 g/mol, XLogP of 3.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[(2,4-dimethyl-1,3-thiazol-5-yl)methylcarbamoylamino]-N,N-dimethylbenzamide is sourced from PubChem (CID 118794258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).