N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(1-hydroxycyclopentyl)acetamide

C15H16ClN3O2S — CID 111537951

IUPACN-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(1-hydroxycyclopentyl)acetamide
SMILESO=C(CC1(O)CCCC1)Nc1nnc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C15H16ClN3O2S/c16-11-5-3-4-10(8-11)13-18-19-14(22-13)17-12(20)9-15(21)6-1-2-7-15/h3-5,8,21H,1-2,6-7,9H2,(H,17,19,20)
InChIKeyIPKFYSJWWFQIPB-UHFFFAOYSA-N
MW337.83 g/mol
LogP3.49
Rot. Bonds4

About N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(1-hydroxycyclopentyl)acetamide

N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(1-hydroxycyclopentyl)acetamide (PubChem CID 111537951) has the molecular formula C15H16ClN3O2S and a molecular weight of 337.83 g/mol. Its IUPAC name is N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(1-hydroxycyclopentyl)acetamide.

Molecular Properties

Compound NameN-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(1-hydroxycyclopentyl)acetamide
PubChem CID111537951
Molecular FormulaC15H16ClN3O2S
Molecular Weight337.83 g/mol
Exact Mass337.07
IUPAC NameN-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(1-hydroxycyclopentyl)acetamide
SMILESO=C(CC1(O)CCCC1)Nc1nnc(-c2cccc(Cl)c2)s1
InChIInChI=1S/C15H16ClN3O2S/c16-11-5-3-4-10(8-11)13-18-19-14(22-13)17-12(20)9-15(21)6-1-2-7-15/h3-5,8,21H,1-2,6-7,9H2,(H,17,19,20)
InChIKeyIPKFYSJWWFQIPB-UHFFFAOYSA-N
XLogP3.49
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.83
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-N'-hydroxyoctanediamide
CID 142729813
4-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methoxybutanamide
CID 120589978
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-4-(dimethylamino)butanamide
CID 166218686
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-piperidin-4-ylbutanamide;hydrochloride
CID 119745181
2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-methylpentanamide
CID 119745197
2-(3-chlorophenyl)-N-[5-(4-methoxyphenyl)-1,3,4-thiadiazol-2-yl]acetamide
CID 100747610
N-[(3-chlorophenyl)methyl]-2-(1-hydroxycyclopentyl)acetamide
CID 111430252
2-(1-hydroxycyclopentyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 111430681
5-(3-chlorophenyl)-N-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 121006251
2-amino-N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-3-methylpentanamide;hydrochloride
CID 119745185
N-(4-chloro-2-fluorophenyl)-2-(1-hydroxycyclopentyl)acetamide
CID 111432127
[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]hydrazine;hydrochloride
CID 45265519

Frequently Asked Questions

What is the IUPAC name of N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(1-hydroxycyclopentyl)acetamide?
The IUPAC name of N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(1-hydroxycyclopentyl)acetamide (CID 111537951) is N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(1-hydroxycyclopentyl)acetamide.
What is the SMILES notation for N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(1-hydroxycyclopentyl)acetamide?
The canonical SMILES for N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(1-hydroxycyclopentyl)acetamide is O=C(CC1(O)CCCC1)Nc1nnc(-c2cccc(Cl)c2)s1.
What is the InChIKey of N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(1-hydroxycyclopentyl)acetamide?
The InChIKey is IPKFYSJWWFQIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16ClN3O2S/c16-11-5-3-4-10(8-11)13-18-19-14(22-13)17-12(20)9-15(21)6-1-2-7-15/h3-5,8,21H,1-2,6-7,9H2,(H,17,19,20).
What are the key properties of N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(1-hydroxycyclopentyl)acetamide?
N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(1-hydroxycyclopentyl)acetamide has a molecular weight of 337.83 g/mol, XLogP of 3.49, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3-chlorophenyl)-1,3,4-thiadiazol-2-yl]-2-(1-hydroxycyclopentyl)acetamide is sourced from PubChem (CID 111537951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).