N-[2-(4-methylcyclohexyl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

C14H25N3S — CID 65273820

IUPACN-[2-(4-methylcyclohexyl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC1CCC(CCNc2nc(C(C)C)ns2)CC1
InChIInChI=1S/C14H25N3S/c1-10(2)13-16-14(18-17-13)15-9-8-12-6-4-11(3)5-7-12/h10-12H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyLXHQITQOWKDBIF-UHFFFAOYSA-N
MW267.44 g/mol
LogP4.29
Rot. Bonds5

About N-[2-(4-methylcyclohexyl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine

N-[2-(4-methylcyclohexyl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (PubChem CID 65273820) has the molecular formula C14H25N3S and a molecular weight of 267.44 g/mol. Its IUPAC name is N-[2-(4-methylcyclohexyl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.

Molecular Properties

Compound NameN-[2-(4-methylcyclohexyl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
PubChem CID65273820
Molecular FormulaC14H25N3S
Molecular Weight267.44 g/mol
Exact Mass267.18
IUPAC NameN-[2-(4-methylcyclohexyl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
SMILESCC1CCC(CCNc2nc(C(C)C)ns2)CC1
InChIInChI=1S/C14H25N3S/c1-10(2)13-16-14(18-17-13)15-9-8-12-6-4-11(3)5-7-12/h10-12H,4-9H2,1-3H3,(H,15,16,17)
InChIKeyLXHQITQOWKDBIF-UHFFFAOYSA-N
XLogP4.29
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.44
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-propan-2-yl-N-propyl-1,2,4-thiadiazol-5-amine
CID 65269095
N-[3-(4-methylpiperidin-1-yl)propyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 133358721
N-(2-methylsulfanylethyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65274566
N-(4-ethylcyclohexyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65277046
3-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclobutan-1-ol
CID 66005694
5-bromo-N-[2-(4-methylcyclohexyl)ethyl]-1,3,4-thiadiazol-2-amine
CID 64625135
N-(5-chloropentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 107320621
N-cyclopropyl-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 65269115
N-(2-cyclohexylethyl)-3-ethyl-1,2,4-thiadiazol-5-amine
CID 65271632
1-[(2R)-2-methylpiperidin-1-yl]-3-[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]propan-1-one
CID 97221836
N-(5-methylsulfanylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 104925633
N-(5-chloro-4-methylpentyl)-3-propan-2-yl-1,2,4-thiadiazol-5-amine
CID 106154768

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylcyclohexyl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The IUPAC name of N-[2-(4-methylcyclohexyl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine (CID 65273820) is N-[2-(4-methylcyclohexyl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine.
What is the SMILES notation for N-[2-(4-methylcyclohexyl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The canonical SMILES for N-[2-(4-methylcyclohexyl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is CC1CCC(CCNc2nc(C(C)C)ns2)CC1.
What is the InChIKey of N-[2-(4-methylcyclohexyl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
The InChIKey is LXHQITQOWKDBIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3S/c1-10(2)13-16-14(18-17-13)15-9-8-12-6-4-11(3)5-7-12/h10-12H,4-9H2,1-3H3,(H,15,16,17).
What are the key properties of N-[2-(4-methylcyclohexyl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine?
N-[2-(4-methylcyclohexyl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine has a molecular weight of 267.44 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylcyclohexyl)ethyl]-3-propan-2-yl-1,2,4-thiadiazol-5-amine is sourced from PubChem (CID 65273820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).