N-[5-[1-(5-chloro-2-pyridinyl)ethyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide

C13H15ClN4O3S2 — CID 166282369

IUPACN-[5-[1-(5-chloro-2-pyridinyl)ethyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)N(C)C(C)c2ccc(Cl)cn2)s1
InChIInChI=1S/C13H15ClN4O3S2/c1-8(11-5-4-10(14)6-15-11)18(3)23(20,21)12-7-16-13(22-12)17-9(2)19/h4-8H,1-3H3,(H,16,17,19)
InChIKeyUWZZAAIONDFCNJ-UHFFFAOYSA-N
MW374.88 g/mol
LogP2.53
Rot. Bonds5

About N-[5-[1-(5-chloro-2-pyridinyl)ethyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide

N-[5-[1-(5-chloro-2-pyridinyl)ethyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide (PubChem CID 166282369) has the molecular formula C13H15ClN4O3S2 and a molecular weight of 374.88 g/mol. Its IUPAC name is N-[5-[1-(5-chloro-2-pyridinyl)ethyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[1-(5-chloro-2-pyridinyl)ethyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide
PubChem CID166282369
Molecular FormulaC13H15ClN4O3S2
Molecular Weight374.88 g/mol
Exact Mass374.03
IUPAC NameN-[5-[1-(5-chloro-2-pyridinyl)ethyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1ncc(S(=O)(=O)N(C)C(C)c2ccc(Cl)cn2)s1
InChIInChI=1S/C13H15ClN4O3S2/c1-8(11-5-4-10(14)6-15-11)18(3)23(20,21)12-7-16-13(22-12)17-9(2)19/h4-8H,1-3H3,(H,16,17,19)
InChIKeyUWZZAAIONDFCNJ-UHFFFAOYSA-N
XLogP2.53
TPSA92.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.88
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-acetamido-1,3-thiazole-5-sulfonic acid;hydrochloride
CID 174821930
N-[5-[[2-(4-chlorophenyl)-1,3-thiazolidin-3-yl]sulfonyl]-1,3-thiazol-2-yl]acetamide
CID 122329642
2-chloro-N-[1-(2-chlorophenyl)ethyl]-N-methyl-1,3-thiazole-5-sulfonamide
CID 61046860
N-[5-[[5-(dimethylsulfamoyl)thiophen-2-yl]methyl]-1,3-thiazol-2-yl]acetamide
CID 87756787
N-[5-(cyclopropylsulfamoyl)-1,3-thiazol-2-yl]acetamide
CID 90480612
N-[(1S)-1-(5-chloro-2-pyridinyl)ethyl]methanesulfonamide
CID 100762146
(1R)-1-(5-chloro-2-pyridinyl)ethanol
CID 75356463
2-chloro-N-methyl-N-(1-thiophen-2-ylpropan-2-yl)-1,3-thiazole-5-sulfonamide
CID 79485930
2-chloro-N-methyl-N-pentan-3-yl-1,3-thiazole-5-sulfonamide
CID 43571195
(2R)-2-(4-chlorophenoxy)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 2678069
N-[5-[[4-[[5-(dimethylamino)pyridazin-3-yl]amino]phenyl]sulfamoyl]-1,3-thiazol-2-yl]acetamide
CID 122322136
N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide
CID 55756646

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-(5-chloro-2-pyridinyl)ethyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[1-(5-chloro-2-pyridinyl)ethyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide (CID 166282369) is N-[5-[1-(5-chloro-2-pyridinyl)ethyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[1-(5-chloro-2-pyridinyl)ethyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[1-(5-chloro-2-pyridinyl)ethyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1ncc(S(=O)(=O)N(C)C(C)c2ccc(Cl)cn2)s1.
What is the InChIKey of N-[5-[1-(5-chloro-2-pyridinyl)ethyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide?
The InChIKey is UWZZAAIONDFCNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClN4O3S2/c1-8(11-5-4-10(14)6-15-11)18(3)23(20,21)12-7-16-13(22-12)17-9(2)19/h4-8H,1-3H3,(H,16,17,19).
What are the key properties of N-[5-[1-(5-chloro-2-pyridinyl)ethyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide?
N-[5-[1-(5-chloro-2-pyridinyl)ethyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide has a molecular weight of 374.88 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-(5-chloro-2-pyridinyl)ethyl-methylsulfamoyl]-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 166282369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).