2-N,5-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine

C14H24N4S — CID 154101878

IUPAC2-N,5-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine
SMILESC1CCC(Nc2nnc(NC3CCCCC3)s2)CC1
InChIInChI=1S/C14H24N4S/c1-3-7-11(8-4-1)15-13-17-18-14(19-13)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,15,17)(H,16,18)
InChIKeyKCDWTWZVWHGSOB-UHFFFAOYSA-N
MW280.44 g/mol
LogP4.03
Rot. Bonds4

About 2-N,5-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine

2-N,5-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine (PubChem CID 154101878) has the molecular formula C14H24N4S and a molecular weight of 280.44 g/mol. Its IUPAC name is 2-N,5-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine.

Molecular Properties

Compound Name2-N,5-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine
PubChem CID154101878
Molecular FormulaC14H24N4S
Molecular Weight280.44 g/mol
Exact Mass280.17
IUPAC Name2-N,5-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine
SMILESC1CCC(Nc2nnc(NC3CCCCC3)s2)CC1
InChIInChI=1S/C14H24N4S/c1-3-7-11(8-4-1)15-13-17-18-14(19-13)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,15,17)(H,16,18)
InChIKeyKCDWTWZVWHGSOB-UHFFFAOYSA-N
XLogP4.03
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.44
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N2-cyclohexyl-N2-methyl-1,3,4-thiadiazole-2,5-diamine
CID 5308115
N-cyclohexylthiatriazol-5-amine
CID 926144
5-(4-Cyclohexylpiperazin-1-yl)-1,3,4-thiadiazol-2-amine
CID 44122432
N-cyclohexyl-1,3,4-thiadiazol-2-amine
CID 12324950
5-bromo-N-(4-fluorocyclohexyl)-1,3,4-thiadiazol-2-amine
CID 131114309
N2-Cyclopentyl-1,3,4-thiadiazole-2,5-diamine
CID 6917212
2-N-undecyl-1,3,4-thiadiazole-2,5-diamine
CID 17873965
2-N,2-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine
CID 19016670
2-N-(cyclohexylmethyl)-1,3,4-thiadiazole-2,5-diamine
CID 19016677
2-N-hexan-3-yl-1,3,4-thiadiazole-2,5-diamine
CID 20427055
2-N-nonadecan-2-yl-1,3,4-thiadiazole-2,5-diamine
CID 20427106
2-N-cyclohexyl-1,3,4-thiadiazole-2,5-diamine
CID 20427116

Frequently Asked Questions

What is the IUPAC name of 2-N,5-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine?
The IUPAC name of 2-N,5-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine (CID 154101878) is 2-N,5-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine.
What is the SMILES notation for 2-N,5-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine?
The canonical SMILES for 2-N,5-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine is C1CCC(Nc2nnc(NC3CCCCC3)s2)CC1.
What is the InChIKey of 2-N,5-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine?
The InChIKey is KCDWTWZVWHGSOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4S/c1-3-7-11(8-4-1)15-13-17-18-14(19-13)16-12-9-5-2-6-10-12/h11-12H,1-10H2,(H,15,17)(H,16,18).
What are the key properties of 2-N,5-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine?
2-N,5-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine has a molecular weight of 280.44 g/mol, XLogP of 4.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N,5-N-dicyclohexyl-1,3,4-thiadiazole-2,5-diamine is sourced from PubChem (CID 154101878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).