N-tert-butyl-4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine

C16H29N3S — CID 168724934

IUPACN-tert-butyl-4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
SMILESCC(C)(C)NC1CCC(c2nnc(C(C)(C)C)s2)CC1
InChIInChI=1S/C16H29N3S/c1-15(2,3)14-19-18-13(20-14)11-7-9-12(10-8-11)17-16(4,5)6/h11-12,17H,7-10H2,1-6H3
InChIKeyHDWCAIYGTZCUJN-UHFFFAOYSA-N
MW295.50 g/mol
LogP4.25
Rot. Bonds2

About N-tert-butyl-4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine

N-tert-butyl-4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine (PubChem CID 168724934) has the molecular formula C16H29N3S and a molecular weight of 295.50 g/mol. Its IUPAC name is N-tert-butyl-4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine.

Molecular Properties

Compound NameN-tert-butyl-4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
PubChem CID168724934
Molecular FormulaC16H29N3S
Molecular Weight295.50 g/mol
Exact Mass295.21
IUPAC NameN-tert-butyl-4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine
SMILESCC(C)(C)NC1CCC(c2nnc(C(C)(C)C)s2)CC1
InChIInChI=1S/C16H29N3S/c1-15(2,3)14-19-18-13(20-14)11-7-9-12(10-8-11)17-16(4,5)6/h11-12,17H,7-10H2,1-6H3
InChIKeyHDWCAIYGTZCUJN-UHFFFAOYSA-N
XLogP4.25
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.50
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 81934224
N-[2-[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-2-amine
CID 81934242
N-[2-[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]-2-methylpropan-2-amine
CID 81934294
N-[2-[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]-2-methylpropan-1-amine
CID 81934322
1-[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylethanamine
CID 81934400
N-[1-[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]ethyl]propan-1-amine
CID 81934422
1-[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]-N-methylpropan-1-amine
CID 81934423
1-[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 81934442
N-[[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]methyl]propan-2-amine
CID 81934471
1-[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 81934473
3-[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]-N-ethylpropan-1-amine
CID 81934515
3-[5-(4,4-difluorocyclohexyl)-1,3,4-thiadiazol-2-yl]-N-propylpropan-1-amine
CID 81934533

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The IUPAC name of N-tert-butyl-4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine (CID 168724934) is N-tert-butyl-4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine.
What is the SMILES notation for N-tert-butyl-4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The canonical SMILES for N-tert-butyl-4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine is CC(C)(C)NC1CCC(c2nnc(C(C)(C)C)s2)CC1.
What is the InChIKey of N-tert-butyl-4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
The InChIKey is HDWCAIYGTZCUJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3S/c1-15(2,3)14-19-18-13(20-14)11-7-9-12(10-8-11)17-16(4,5)6/h11-12,17H,7-10H2,1-6H3.
What are the key properties of N-tert-butyl-4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine?
N-tert-butyl-4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine has a molecular weight of 295.50 g/mol, XLogP of 4.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-4-(5-tert-butyl-1,3,4-thiadiazol-2-yl)cyclohexan-1-amine is sourced from PubChem (CID 168724934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).