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

C14H18ClN3S — CID 106260466

IUPACN-[1-(4-chlorophenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC(C)c2ccc(Cl)cc2)s1
InChIInChI=1S/C14H18ClN3S/c1-9(2)8-13-17-18-14(19-13)16-10(3)11-4-6-12(15)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,16,18)
InChIKeyMKDXXDAVVOFRKP-UHFFFAOYSA-N
MW295.84 g/mol
LogP4.56
Rot. Bonds5

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

N-[1-(4-chlorophenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (PubChem CID 106260466) has the molecular formula C14H18ClN3S and a molecular weight of 295.84 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
PubChem CID106260466
Molecular FormulaC14H18ClN3S
Molecular Weight295.84 g/mol
Exact Mass295.09
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
SMILESCC(C)Cc1nnc(NC(C)c2ccc(Cl)cc2)s1
InChIInChI=1S/C14H18ClN3S/c1-9(2)8-13-17-18-14(19-13)16-10(3)11-4-6-12(15)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,16,18)
InChIKeyMKDXXDAVVOFRKP-UHFFFAOYSA-N
XLogP4.56
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.84
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-fluoro-4-methylphenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260425
N-[1-(5-chlorothiophen-2-yl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260130
2-methoxy-4-[1-[[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]amino]ethyl]phenol
CID 106260758
N-[1-(4-chlorophenyl)ethyl]-5-phenyl-1,3,4-thiadiazol-2-amine
CID 112812660
4-chloro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 697506
N-[1-(2,4-dimethylphenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260814
5-(2-methylpropyl)-N-(1-pyridin-2-ylethyl)-1,3,4-thiadiazol-2-amine
CID 106260917
N-[3-(4-chlorophenyl)cyclobutyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260847
N-[(4-chloro-2-methylphenyl)methyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106261154
5-(2-methylpropyl)-N-[1-(4-methyl-1,3-thiazol-5-yl)ethyl]-1,3,4-thiadiazol-2-amine
CID 106260383
5-methyl-N-[1-(4-propan-2-ylphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 113240474
N-[1-(1-benzofuran-2-yl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine
CID 106260962

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine (CID 106260466) is N-[1-(4-chlorophenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is CC(C)Cc1nnc(NC(C)c2ccc(Cl)cc2)s1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
The InChIKey is MKDXXDAVVOFRKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3S/c1-9(2)8-13-17-18-14(19-13)16-10(3)11-4-6-12(15)7-5-11/h4-7,9-10H,8H2,1-3H3,(H,16,18).
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine?
N-[1-(4-chlorophenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine has a molecular weight of 295.84 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-5-(2-methylpropyl)-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 106260466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).