N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine

C15H19N3OS — CID 107647837

IUPACN-[cyclopropyl-(4-methoxyphenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(c2ccc(OC)cc2)C2CC2)s1
InChIInChI=1S/C15H19N3OS/c1-3-13-17-18-15(20-13)16-14(10-4-5-10)11-6-8-12(19-2)9-7-11/h6-10,14H,3-5H2,1-2H3,(H,16,18)
InChIKeyQXZGJTYRLFWTMH-UHFFFAOYSA-N
MW289.40 g/mol
LogP3.67
Rot. Bonds6

About N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine

N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine (PubChem CID 107647837) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
PubChem CID107647837
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC NameN-[cyclopropyl-(4-methoxyphenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine
SMILESCCc1nnc(NC(c2ccc(OC)cc2)C2CC2)s1
InChIInChI=1S/C15H19N3OS/c1-3-13-17-18-15(20-13)16-14(10-4-5-10)11-6-8-12(19-2)9-7-11/h6-10,14H,3-5H2,1-2H3,(H,16,18)
InChIKeyQXZGJTYRLFWTMH-UHFFFAOYSA-N
XLogP3.67
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(S)-cyclopropyl-(4-methoxyphenyl)methyl]ethanamine
CID 93040874
N-[cyclopropyl-(4-methoxyphenyl)methyl]hydroxylamine
CID 82684518
1-cyclopropyl-1-(4-methoxyphenyl)-N-[(5-methyl-1,3-thiazol-2-yl)methyl]methanamine
CID 103910978
N-[cyclopropyl-(4-methoxyphenyl)methyl]butan-2-amine
CID 43756360
N-[cyclopropyl-(4-methylphenyl)methyl]-4-methoxyaniline
CID 43765997
N-[(4-methoxyphenyl)-(4-propan-2-ylcyclohexyl)methyl]ethanamine
CID 65423233
[cyclopropyl-(4-methoxyphenyl)methyl]hydrazine
CID 53403096
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3,5-dimethylaniline
CID 43764004
N-[cyclopropyl-(4-methoxyphenyl)methyl]-2-ethoxypropan-1-amine
CID 115898527
N-[cyclopropyl-(4-methoxyphenyl)methyl]-3-methoxyaniline
CID 43765565
N-[cyclopropyl-(4-methoxyphenyl)methyl]propane-1-sulfonamide
CID 64593325
2,6-dichloro-N-[cyclopropyl-(4-methoxyphenyl)methyl]aniline
CID 65467984

Frequently Asked Questions

What is the IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine (CID 107647837) is N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine is CCc1nnc(NC(c2ccc(OC)cc2)C2CC2)s1.
What is the InChIKey of N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine?
The InChIKey is QXZGJTYRLFWTMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-3-13-17-18-15(20-13)16-14(10-4-5-10)11-6-8-12(19-2)9-7-11/h6-10,14H,3-5H2,1-2H3,(H,16,18).
What are the key properties of N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine?
N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine has a molecular weight of 289.40 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[cyclopropyl-(4-methoxyphenyl)methyl]-5-ethyl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107647837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).