5-(2-chlorophenyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine

C14H16ClN3OS — CID 133468084

IUPAC5-(2-chlorophenyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESClc1ccccc1-c1nnc(NCCC2CCCO2)s1
InChIInChI=1S/C14H16ClN3OS/c15-12-6-2-1-5-11(12)13-17-18-14(20-13)16-8-7-10-4-3-9-19-10/h1-2,5-6,10H,3-4,7-9H2,(H,16,18)
InChIKeyLMVIFLKEJCYDTN-UHFFFAOYSA-N
MW309.82 g/mol
LogP3.84
Rot. Bonds5

About 5-(2-chlorophenyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine

5-(2-chlorophenyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 133468084) has the molecular formula C14H16ClN3OS and a molecular weight of 309.82 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound Name5-(2-chlorophenyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID133468084
Molecular FormulaC14H16ClN3OS
Molecular Weight309.82 g/mol
Exact Mass309.07
IUPAC Name5-(2-chlorophenyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESClc1ccccc1-c1nnc(NCCC2CCCO2)s1
InChIInChI=1S/C14H16ClN3OS/c15-12-6-2-1-5-11(12)13-17-18-14(20-13)16-8-7-10-4-3-9-19-10/h1-2,5-6,10H,3-4,7-9H2,(H,16,18)
InChIKeyLMVIFLKEJCYDTN-UHFFFAOYSA-N
XLogP3.84
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.82
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-bromo-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64624112
5-methyl-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64915181
N-[5-(2-chlorophenyl)-1,3,4-thiadiazol-2-yl]oxane-2-carboxamide
CID 136516557
2-chloro-N-[2-(oxolan-2-yl)ethyl]-1,3-thiazol-4-amine
CID 131134692
2-bromo-N-[2-(oxolan-2-yl)ethyl]aniline
CID 63181267
3-chloro-4-fluoro-N-[2-(oxolan-2-yl)ethyl]aniline
CID 78925566
2-(2-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylamino]-1,3-oxazole-4-carbonitrile
CID 891806
5-chloro-N-[2-(oxolan-2-yl)ethyl]pyrimidin-4-amine
CID 105369246
2-(2-chlorophenyl)-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 95300425
5-[(2-methylphenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 46670484
6-methoxy-N-[2-(oxolan-2-yl)ethyl]-1,3-benzothiazol-2-amine
CID 79518210
2-chloro-6-[[2-(oxolan-2-yl)ethylamino]methyl]phenol
CID 112554056

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of 5-(2-chlorophenyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine (CID 133468084) is 5-(2-chlorophenyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for 5-(2-chlorophenyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for 5-(2-chlorophenyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine is Clc1ccccc1-c1nnc(NCCC2CCCO2)s1.
What is the InChIKey of 5-(2-chlorophenyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is LMVIFLKEJCYDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3OS/c15-12-6-2-1-5-11(12)13-17-18-14(20-13)16-8-7-10-4-3-9-19-10/h1-2,5-6,10H,3-4,7-9H2,(H,16,18).
What are the key properties of 5-(2-chlorophenyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine?
5-(2-chlorophenyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 309.82 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-N-[2-(oxolan-2-yl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133468084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).