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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Related Compounds

5-(1-aminoethyl)-N-cyclopentyl-N-methyl-1,3-thiazol-2-amine
CID 62751010
5-(aminomethyl)-N-cycloheptyl-N-methyl-4-propan-2-yl-1,3-thiazol-2-amine
CID 79396354
2-N-cyclohexyl-2-N-methyl-1,3-thiazole-2,5-diamine
CID 102767119
N-cycloheptyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62750110
4-N-methyl-4-N-(5-methyl-1,3,4-thiadiazol-2-yl)cyclohexane-1,4-diamine
CID 79115479
5-N-cycloheptyl-5-N-methyl-1,2,4-thiadiazole-3,5-diamine
CID 66278795
5-bromo-N-methyl-N-(1-methylpiperidin-3-yl)-1,3,4-thiadiazol-2-amine
CID 64623703
N-cyclopentyl-N,4-dimethyl-5-[1-(methylamino)ethyl]-1,3-thiazol-2-amine
CID 62750419
2-[cyclohexyl(methyl)amino]-4,5,6,7-tetrahydro-1,3-benzothiazol-7-ol
CID 62754174
1-[5-[cyclohexyl(methyl)amino]-1,3,4-thiadiazol-2-yl]-3-(2,4-dimethylphenyl)urea
CID 22510828
N-cyclohexyl-N,6-dimethyl-1,3-benzothiazol-2-amine
CID 130399393
N-cyclopropyl-N-(3-phenylprop-2-enyl)-5-propan-2-yl-1,3,4-thiadiazol-2-amine
CID 171140356

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).