N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

C14H13ClN6OS2 — CID 1452233

IUPACN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCn1nnnc1SCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C14H13ClN6OS2/c1-2-21-14(18-19-20-21)24-8-12(22)17-13-16-11(7-23-13)9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3,(H,16,17,22)
InChIKeyJWTNRDNYUAKTNJ-UHFFFAOYSA-N
MW380.89 g/mol
LogP3.20
Rot. Bonds6

About N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide

N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (PubChem CID 1452233) has the molecular formula C14H13ClN6OS2 and a molecular weight of 380.89 g/mol. Its IUPAC name is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
PubChem CID1452233
Molecular FormulaC14H13ClN6OS2
Molecular Weight380.89 g/mol
Exact Mass380.03
IUPAC NameN-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide
SMILESCCn1nnnc1SCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1
InChIInChI=1S/C14H13ClN6OS2/c1-2-21-14(18-19-20-21)24-8-12(22)17-13-16-11(7-23-13)9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3,(H,16,17,22)
InChIKeyJWTNRDNYUAKTNJ-UHFFFAOYSA-N
XLogP3.20
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.89
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide (CID 1452233) is N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is CCn1nnnc1SCC(=O)Nc1nc(-c2ccc(Cl)cc2)cs1.
What is the InChIKey of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is JWTNRDNYUAKTNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN6OS2/c1-2-21-14(18-19-20-21)24-8-12(22)17-13-16-11(7-23-13)9-3-5-10(15)6-4-9/h3-7H,2,8H2,1H3,(H,16,17,22).
What are the key properties of N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide?
N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 380.89 g/mol, XLogP of 3.20, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-(1-ethyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 1452233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).