N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-cyclopropylmethanesulfonamide

C14H15ClN2O2S2 — CID 86778290

IUPACN-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-cyclopropylmethanesulfonamide
SMILESO=S(=O)(CC1CC1)NCc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C14H15ClN2O2S2/c15-12-5-3-11(4-6-12)13-8-20-14(17-13)7-16-21(18,19)9-10-1-2-10/h3-6,8,10,16H,1-2,7,9H2
InChIKeyUKBZHIGUYSRYBO-UHFFFAOYSA-N
MW342.87 g/mol
LogP3.29
Rot. Bonds6

About N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-cyclopropylmethanesulfonamide

N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-cyclopropylmethanesulfonamide (PubChem CID 86778290) has the molecular formula C14H15ClN2O2S2 and a molecular weight of 342.87 g/mol. Its IUPAC name is N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-cyclopropylmethanesulfonamide.

Molecular Properties

Compound NameN-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-cyclopropylmethanesulfonamide
PubChem CID86778290
Molecular FormulaC14H15ClN2O2S2
Molecular Weight342.87 g/mol
Exact Mass342.03
IUPAC NameN-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-cyclopropylmethanesulfonamide
SMILESO=S(=O)(CC1CC1)NCc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C14H15ClN2O2S2/c15-12-5-3-11(4-6-12)13-8-20-14(17-13)7-16-21(18,19)9-10-1-2-10/h3-6,8,10,16H,1-2,7,9H2
InChIKeyUKBZHIGUYSRYBO-UHFFFAOYSA-N
XLogP3.29
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.87
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1,3-thiazol-4-ol
CID 1482059
[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methanamine
CID 3299475
4-(4-chlorophenyl)-2-ethyl-1,3-thiazole
CID 2804464
N-[[4-(4-hydroxyphenyl)-1,3-thiazol-2-yl]methyl]-1-(2-methylphenyl)methanesulfonamide
CID 110393734
4-(4-chlorophenyl)-2-(3-chloropropyl)-1,3-thiazole
CID 94281736
1-(2-methylphenyl)-N-[(4-pyridin-4-yl-1,3-thiazol-2-yl)methyl]methanesulfonamide
CID 110318268
4-(4-chlorophenyl)-2-(ethoxymethyl)-1,3-thiazole
CID 167790638
4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-N-cyclohexylpiperazine-1-carboxamide
CID 30464073
2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-N-ethylethanamine
CID 82103307
3-chloro-N-[[4-(3,4-dihydroxyphenyl)-1,3-thiazol-2-yl]methyl]benzenesulfonamide
CID 110393855
(2S,3S)-N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-2-methyl-1-(1H-1,2,4-triazole-5-carbonyl)piperidine-3-carboxamide
CID 177213680
N-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]methyl]-4-chlorobenzamide
CID 110351814

Frequently Asked Questions

What is the IUPAC name of N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-cyclopropylmethanesulfonamide?
The IUPAC name of N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-cyclopropylmethanesulfonamide (CID 86778290) is N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-cyclopropylmethanesulfonamide.
What is the SMILES notation for N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-cyclopropylmethanesulfonamide?
The canonical SMILES for N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-cyclopropylmethanesulfonamide is O=S(=O)(CC1CC1)NCc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-cyclopropylmethanesulfonamide?
The InChIKey is UKBZHIGUYSRYBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S2/c15-12-5-3-11(4-6-12)13-8-20-14(17-13)7-16-21(18,19)9-10-1-2-10/h3-6,8,10,16H,1-2,7,9H2.
What are the key properties of N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-cyclopropylmethanesulfonamide?
N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-cyclopropylmethanesulfonamide has a molecular weight of 342.87 g/mol, XLogP of 3.29, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]methyl]-1-cyclopropylmethanesulfonamide is sourced from PubChem (CID 86778290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).