N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-3-propyl-1,2,4-thiadiazol-5-amine

C16H18ClN5S — CID 126842245

IUPACN-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCC(c2ccc(Cl)cc2)n2ccnc2)n1
InChIInChI=1S/C16H18ClN5S/c1-2-3-15-20-16(23-21-15)19-10-14(22-9-8-18-11-22)12-4-6-13(17)7-5-12/h4-9,11,14H,2-3,10H2,1H3,(H,19,20,21)
InChIKeyOVLRMUGXRSMJDO-UHFFFAOYSA-N
MW347.88 g/mol
LogP4.04
Rot. Bonds7

About N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-3-propyl-1,2,4-thiadiazol-5-amine

N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-3-propyl-1,2,4-thiadiazol-5-amine (PubChem CID 126842245) has the molecular formula C16H18ClN5S and a molecular weight of 347.88 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-3-propyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-3-propyl-1,2,4-thiadiazol-5-amine
PubChem CID126842245
Molecular FormulaC16H18ClN5S
Molecular Weight347.88 g/mol
Exact Mass347.10
IUPAC NameN-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-3-propyl-1,2,4-thiadiazol-5-amine
SMILESCCCc1nsc(NCC(c2ccc(Cl)cc2)n2ccnc2)n1
InChIInChI=1S/C16H18ClN5S/c1-2-3-15-20-16(23-21-15)19-10-14(22-9-8-18-11-22)12-4-6-13(17)7-5-12/h4-9,11,14H,2-3,10H2,1H3,(H,19,20,21)
InChIKeyOVLRMUGXRSMJDO-UHFFFAOYSA-N
XLogP4.04
TPSA55.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.88
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-3-propyl-1,2,4-thiadiazol-5-amine (CID 126842245) is N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-3-propyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-3-propyl-1,2,4-thiadiazol-5-amine is CCCc1nsc(NCC(c2ccc(Cl)cc2)n2ccnc2)n1.
What is the InChIKey of N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-3-propyl-1,2,4-thiadiazol-5-amine?
The InChIKey is OVLRMUGXRSMJDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN5S/c1-2-3-15-20-16(23-21-15)19-10-14(22-9-8-18-11-22)12-4-6-13(17)7-5-12/h4-9,11,14H,2-3,10H2,1H3,(H,19,20,21).
What are the key properties of N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-3-propyl-1,2,4-thiadiazol-5-amine?
N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-3-propyl-1,2,4-thiadiazol-5-amine has a molecular weight of 347.88 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)-2-imidazol-1-ylethyl]-3-propyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 126842245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).