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

C11H13N3OS — CID 107648720

IUPACN-[1-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1ccccc1C(C)Nc1nncs1
InChIInChI=1S/C11H13N3OS/c1-8(13-11-14-12-7-16-11)9-5-3-4-6-10(9)15-2/h3-8H,1-2H3,(H,13,14)
InChIKeyCVVIGMBHQCJZJV-UHFFFAOYSA-N
MW235.31 g/mol
LogP2.72
Rot. Bonds4

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

N-[1-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine (PubChem CID 107648720) has the molecular formula C11H13N3OS and a molecular weight of 235.31 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
PubChem CID107648720
Molecular FormulaC11H13N3OS
Molecular Weight235.31 g/mol
Exact Mass235.08
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
SMILESCOc1ccccc1C(C)Nc1nncs1
InChIInChI=1S/C11H13N3OS/c1-8(13-11-14-12-7-16-11)9-5-3-4-6-10(9)15-2/h3-8H,1-2H3,(H,13,14)
InChIKeyCVVIGMBHQCJZJV-UHFFFAOYSA-N
XLogP2.72
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.31
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648855
(1R)-1-(2-methoxyphenyl)-N-[(1R)-1-(2-methoxyphenyl)ethyl]ethanamine
CID 11346678
N-[1-(4-propan-2-yloxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 107648558
4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]pyrimidin-2-amine
CID 26436569
(1R)-N-[(1R)-1-(2-methoxyphenyl)ethyl]-1-phenylethanamine
CID 13234523
2-chloro-N-[1-(2-methoxyphenyl)ethyl]aniline
CID 43194707
methyl 2-[[(1R)-1-(2-methoxyphenyl)ethyl]amino]propanoate
CID 81396743
N-[1-(2-methoxyphenyl)ethyl]-3-propan-2-ylaniline
CID 43106859
N-[(1S)-1-(2-methoxyphenyl)ethyl]-2,3,4,5-tetrahydropyridin-6-amine
CID 81397062
N'-[1-(2-methoxyphenyl)ethyl]ethane-1,2-diamine
CID 60887758
(1S)-1-(2-methoxyphenyl)ethanethiol
CID 28974918
4-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,3-thiazol-2-amine
CID 2536248

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine (CID 107648720) is N-[1-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine is COc1ccccc1C(C)Nc1nncs1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine?
The InChIKey is CVVIGMBHQCJZJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS/c1-8(13-11-14-12-7-16-11)9-5-3-4-6-10(9)15-2/h3-8H,1-2H3,(H,13,14).
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine?
N-[1-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine has a molecular weight of 235.31 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 107648720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).