N-cyclohexyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine

C12H21N3S — CID 133365858

IUPACN-cyclohexyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(N(C)C2CCCCC2)s1
InChIInChI=1S/C12H21N3S/c1-9(2)11-13-14-12(16-11)15(3)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3
InChIKeySEIUXNOOHQCYCE-UHFFFAOYSA-N
MW239.39 g/mol
LogP3.43
Rot. Bonds3

About N-cyclohexyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine

N-cyclohexyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine (PubChem CID 133365858) has the molecular formula C12H21N3S and a molecular weight of 239.39 g/mol. Its IUPAC name is N-cyclohexyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine.

Molecular Properties

Compound NameN-cyclohexyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine
PubChem CID133365858
Molecular FormulaC12H21N3S
Molecular Weight239.39 g/mol
Exact Mass239.15
IUPAC NameN-cyclohexyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine
SMILESCC(C)c1nnc(N(C)C2CCCCC2)s1
InChIInChI=1S/C12H21N3S/c1-9(2)11-13-14-12(16-11)15(3)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3
InChIKeySEIUXNOOHQCYCE-UHFFFAOYSA-N
XLogP3.43
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.39
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The IUPAC name of N-cyclohexyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine (CID 133365858) is N-cyclohexyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine.
What is the SMILES notation for N-cyclohexyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The canonical SMILES for N-cyclohexyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine is CC(C)c1nnc(N(C)C2CCCCC2)s1.
What is the InChIKey of N-cyclohexyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
The InChIKey is SEIUXNOOHQCYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3S/c1-9(2)11-13-14-12(16-11)15(3)10-7-5-4-6-8-10/h9-10H,4-8H2,1-3H3.
What are the key properties of N-cyclohexyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine?
N-cyclohexyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine has a molecular weight of 239.39 g/mol, XLogP of 3.43, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-N-methyl-5-propan-2-yl-1,3,4-thiadiazol-2-amine is sourced from PubChem (CID 133365858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).