N-[(1-methoxycyclobutyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine

C14H17N3OS — CID 133459895

IUPACN-[(1-methoxycyclobutyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCOC1(CNc2nc(-c3ccccc3)ns2)CCC1
InChIInChI=1S/C14H17N3OS/c1-18-14(8-5-9-14)10-15-13-16-12(17-19-13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,15,16,17)
InChIKeyZLNPTZTUIVGYOS-UHFFFAOYSA-N
MW275.38 g/mol
LogP3.19
Rot. Bonds5

About N-[(1-methoxycyclobutyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine

N-[(1-methoxycyclobutyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine (PubChem CID 133459895) has the molecular formula C14H17N3OS and a molecular weight of 275.38 g/mol. Its IUPAC name is N-[(1-methoxycyclobutyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[(1-methoxycyclobutyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
PubChem CID133459895
Molecular FormulaC14H17N3OS
Molecular Weight275.38 g/mol
Exact Mass275.11
IUPAC NameN-[(1-methoxycyclobutyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
SMILESCOC1(CNc2nc(-c3ccccc3)ns2)CCC1
InChIInChI=1S/C14H17N3OS/c1-18-14(8-5-9-14)10-15-13-16-12(17-19-13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,15,16,17)
InChIKeyZLNPTZTUIVGYOS-UHFFFAOYSA-N
XLogP3.19
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.38
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1,2,3,5,6,7-hexahydropyrrolizin-8-ylmethyl)-3-phenyl-1,2,4-thiadiazol-5-amine
CID 154859937
1-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]-3,4-dihydro-2H-naphthalen-1-ol
CID 133321177
N-[(4-methoxyoxan-4-yl)methyl]-4-phenyl-1,3-thiazol-2-amine
CID 133399967
N-[(4-methoxythian-4-yl)methyl]-3-methyl-1,2,4-thiadiazol-5-amine
CID 172899409
N-[[4-(dimethylamino)phenyl]methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 86875112
1-(4-methoxyphenyl)-N,N-dimethyl-N'-(3-phenyl-1,2,4-thiadiazol-5-yl)ethane-1,2-diamine
CID 86893107
N-[(2,5-dimethyl-1,3-thiazol-4-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133406112
N-[(4-methoxythian-4-yl)methyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 172899903
methyl N-[4-[[(3-phenyl-1,2,4-thiadiazol-5-yl)amino]methyl]phenyl]carbamate
CID 133317518
2-(1-hydroxycyclopentyl)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)acetamide
CID 111430681
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133484583
N-[(3-methylphenyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine
CID 133316558

Frequently Asked Questions

What is the IUPAC name of N-[(1-methoxycyclobutyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[(1-methoxycyclobutyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine (CID 133459895) is N-[(1-methoxycyclobutyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[(1-methoxycyclobutyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[(1-methoxycyclobutyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine is COC1(CNc2nc(-c3ccccc3)ns2)CCC1.
What is the InChIKey of N-[(1-methoxycyclobutyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
The InChIKey is ZLNPTZTUIVGYOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3OS/c1-18-14(8-5-9-14)10-15-13-16-12(17-19-13)11-6-3-2-4-7-11/h2-4,6-7H,5,8-10H2,1H3,(H,15,16,17).
What are the key properties of N-[(1-methoxycyclobutyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine?
N-[(1-methoxycyclobutyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine has a molecular weight of 275.38 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-methoxycyclobutyl)methyl]-3-phenyl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 133459895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).