2-[(3-chlorophenyl)carbamoylamino]-N,N-bis(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide

C18H23ClN4O4S — CID 16897410

IUPAC2-[(3-chlorophenyl)carbamoylamino]-N,N-bis(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCCN(CCOC)C(=O)c1sc(NC(=O)Nc2cccc(Cl)c2)nc1C
InChIInChI=1S/C18H23ClN4O4S/c1-12-15(16(24)23(7-9-26-2)8-10-27-3)28-18(20-12)22-17(25)21-14-6-4-5-13(19)11-14/h4-6,11H,7-10H2,1-3H3,(H2,20,21,22,25)
InChIKeyTYDMTHKWACDALJ-UHFFFAOYSA-N
MW426.93 g/mol
LogP3.48
Rot. Bonds9

About 2-[(3-chlorophenyl)carbamoylamino]-N,N-bis(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide

2-[(3-chlorophenyl)carbamoylamino]-N,N-bis(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 16897410) has the molecular formula C18H23ClN4O4S and a molecular weight of 426.93 g/mol. Its IUPAC name is 2-[(3-chlorophenyl)carbamoylamino]-N,N-bis(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[(3-chlorophenyl)carbamoylamino]-N,N-bis(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID16897410
Molecular FormulaC18H23ClN4O4S
Molecular Weight426.93 g/mol
Exact Mass426.11
IUPAC Name2-[(3-chlorophenyl)carbamoylamino]-N,N-bis(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCOCCN(CCOC)C(=O)c1sc(NC(=O)Nc2cccc(Cl)c2)nc1C
InChIInChI=1S/C18H23ClN4O4S/c1-12-15(16(24)23(7-9-26-2)8-10-27-3)28-18(20-12)22-17(25)21-14-6-4-5-13(19)11-14/h4-6,11H,7-10H2,1-3H3,(H2,20,21,22,25)
InChIKeyTYDMTHKWACDALJ-UHFFFAOYSA-N
XLogP3.48
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-chlorophenyl)-N,N-bis(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 55439249
N-(5-chloro-2-methoxyphenyl)-2-[(3-chlorophenyl)carbamoylamino]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897513
2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(pyridin-2-ylmethyl)-1,3-thiazole-5-carboxamide
CID 16897453
2-[(3-chlorophenyl)carbamoylamino]-4-methyl-N-(2-methylphenyl)-1,3-thiazole-5-carboxamide
CID 16897465
1-(3-chlorophenyl)-3-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]urea
CID 16897412
3-(3-chlorophenyl)-1-(2-hydroxyethyl)-1-(2-methoxyethyl)urea
CID 110929481
2-[(3-chlorophenyl)carbamoylamino]-N-[2-(cyclohexen-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897441
N-[(4-chlorophenyl)methyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897163
2-[(3-chlorophenyl)carbamoylamino]-N-[2-(1H-indol-3-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 16897543
N-[2-(4-chlorophenyl)ethyl]-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16839644
N-(3-methoxyphenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897062
N-(3-chlorophenyl)-4-methyl-2-[(4-methylbenzoyl)amino]-1,3-thiazole-5-carboxamide
CID 1468182

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]-N,N-bis(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[(3-chlorophenyl)carbamoylamino]-N,N-bis(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 16897410) is 2-[(3-chlorophenyl)carbamoylamino]-N,N-bis(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[(3-chlorophenyl)carbamoylamino]-N,N-bis(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[(3-chlorophenyl)carbamoylamino]-N,N-bis(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide is COCCN(CCOC)C(=O)c1sc(NC(=O)Nc2cccc(Cl)c2)nc1C.
What is the InChIKey of 2-[(3-chlorophenyl)carbamoylamino]-N,N-bis(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is TYDMTHKWACDALJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O4S/c1-12-15(16(24)23(7-9-26-2)8-10-27-3)28-18(20-12)22-17(25)21-14-6-4-5-13(19)11-14/h4-6,11H,7-10H2,1-3H3,(H2,20,21,22,25).
What are the key properties of 2-[(3-chlorophenyl)carbamoylamino]-N,N-bis(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide?
2-[(3-chlorophenyl)carbamoylamino]-N,N-bis(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 426.93 g/mol, XLogP of 3.48, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chlorophenyl)carbamoylamino]-N,N-bis(2-methoxyethyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 16897410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).