N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide

C13H11ClN6O3S — CID 134816401

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide
SMILESO=C(Cn1cnc(N(O)O)n1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H11ClN6O3S/c14-9-3-1-8(2-4-9)10-6-24-13(16-10)17-11(21)5-19-7-15-12(18-19)20(22)23/h1-4,6-7,22-23H,5H2,(H,16,17,21)
InChIKeyDQLFALRSKNZAFH-UHFFFAOYSA-N
MW366.79 g/mol
LogP2.28
Rot. Bonds5

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide (PubChem CID 134816401) has the molecular formula C13H11ClN6O3S and a molecular weight of 366.79 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide
PubChem CID134816401
Molecular FormulaC13H11ClN6O3S
Molecular Weight366.79 g/mol
Exact Mass366.03
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide
SMILESO=C(Cn1cnc(N(O)O)n1)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C13H11ClN6O3S/c14-9-3-1-8(2-4-9)10-6-24-13(16-10)17-11(21)5-19-7-15-12(18-19)20(22)23/h1-4,6-7,22-23H,5H2,(H,16,17,21)
InChIKeyDQLFALRSKNZAFH-UHFFFAOYSA-N
XLogP2.28
TPSA116.40 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.79
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenyl-1,3-thiazol-2-yl)acetamide
CID 861927
N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 2409358
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 9420018
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-(3-nitro-1,2,4-triazol-1-yl)acetamide
CID 60490601
2-[4-(4-chlorophenyl)triazol-1-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 155518758
N-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-2-(tetrazol-1-yl)acetamide
CID 2446277
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-pyrrolidin-1-ylacetamide
CID 334416
2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 2224938
2-[4-(4-chlorophenyl)triazol-1-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 155535295
4-(4-chlorophenyl)-N-[(E)-[1-(4-chlorophenyl)-2-(1,2,4-triazol-1-yl)ethylidene]amino]thiazol-2-amine
CID 11177865
Hydantoin, 1-(4-(p-chlorophenyl)-2-thiazolyl)-
CID 3060461
2-(4-Chlorophenyl)-4-(1,2,4-triazol-1-ylmethyl)-1,3-thiazole
CID 54597506

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide (CID 134816401) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide is O=C(Cn1cnc(N(O)O)n1)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide?
The InChIKey is DQLFALRSKNZAFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11ClN6O3S/c14-9-3-1-8(2-4-9)10-6-24-13(16-10)17-11(21)5-19-7-15-12(18-19)20(22)23/h1-4,6-7,22-23H,5H2,(H,16,17,21).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide has a molecular weight of 366.79 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-[3-(dihydroxyamino)-1,2,4-triazol-1-yl]acetamide is sourced from PubChem (CID 134816401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).