5-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide

C14H16ClN3O2S — CID 80618478

IUPAC5-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)Oc1ccccc1C(C)NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C14H16ClN3O2S/c1-8(2)20-11-7-5-4-6-10(11)9(3)16-12(19)13-17-18-14(15)21-13/h4-9H,1-3H3,(H,16,19)
InChIKeyNOGIPSVCHDDONX-UHFFFAOYSA-N
MW325.82 g/mol
LogP3.47
Rot. Bonds5

About 5-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide

5-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide (PubChem CID 80618478) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 5-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
PubChem CID80618478
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name5-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
SMILESCC(C)Oc1ccccc1C(C)NC(=O)c1nnc(Cl)s1
InChIInChI=1S/C14H16ClN3O2S/c1-8(2)20-11-7-5-4-6-10(11)9(3)16-12(19)13-17-18-14(15)21-13/h4-9H,1-3H3,(H,16,19)
InChIKeyNOGIPSVCHDDONX-UHFFFAOYSA-N
XLogP3.47
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-chloro-N-(2-propan-2-yloxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625354
5-chloro-N-(1-naphthalen-1-ylethyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617813
5-chloro-N-[1-(2,6-difluorophenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625249
5-chloro-N-[1-(2,5-dimethylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80626107
2-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide
CID 43701714
5-chloro-N-[1-(3-methoxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625167
2-bromo-3-methyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]butanamide
CID 43701721
2-methoxy-N-[1-(2-propan-2-yloxyphenyl)ethyl]propanamide
CID 47308123
4-methylsulfonyl-N-[1-(2-propan-2-yloxyphenyl)ethyl]benzamide
CID 47042681
N-[1-[4-(carbamoylamino)phenyl]ethyl]-5-chloro-1,3,4-thiadiazole-2-carboxamide
CID 80617996
2-(propan-2-ylamino)-N-[1-(2-propan-2-yloxyphenyl)ethyl]acetamide
CID 60841302
5-(methylamino)-N-[1-(2-methylphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide
CID 80617107

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The IUPAC name of 5-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide (CID 80618478) is 5-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The canonical SMILES for 5-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide is CC(C)Oc1ccccc1C(C)NC(=O)c1nnc(Cl)s1.
What is the InChIKey of 5-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
The InChIKey is NOGIPSVCHDDONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c1-8(2)20-11-7-5-4-6-10(11)9(3)16-12(19)13-17-18-14(15)21-13/h4-9H,1-3H3,(H,16,19).
What are the key properties of 5-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide?
5-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide has a molecular weight of 325.82 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[1-(2-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazole-2-carboxamide is sourced from PubChem (CID 80618478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).