4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propylthiadiazol-5-amine

C16H29N3OS — CID 63486191

IUPAC4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1COC1CC(C)CCC1C(C)C
InChIInChI=1S/C16H29N3OS/c1-5-8-17-16-14(18-19-21-16)10-20-15-9-12(4)6-7-13(15)11(2)3/h11-13,15,17H,5-10H2,1-4H3
InChIKeyHEGRFVSCVVXGKQ-UHFFFAOYSA-N
MW311.50 g/mol
LogP4.34
Rot. Bonds7

About 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propylthiadiazol-5-amine

4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propylthiadiazol-5-amine (PubChem CID 63486191) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propylthiadiazol-5-amine.

Molecular Properties

Compound Name4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propylthiadiazol-5-amine
PubChem CID63486191
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propylthiadiazol-5-amine
SMILESCCCNc1snnc1COC1CC(C)CCC1C(C)C
InChIInChI=1S/C16H29N3OS/c1-5-8-17-16-14(18-19-21-16)10-20-15-9-12(4)6-7-13(15)11(2)3/h11-13,15,17H,5-10H2,1-4H3
InChIKeyHEGRFVSCVVXGKQ-UHFFFAOYSA-N
XLogP4.34
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-methyl-1-propan-2-yl-2-propoxycyclohexane
CID 54499043
[5-chloro-6-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-2-pyridinyl]hydrazine
CID 63483505
(1S,2R,4R)-2-ethoxy-4-methyl-1-propan-2-ylcyclohexane
CID 11086237
N-(cyclopropylmethyl)-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethanamine
CID 62572050
N-(2-methoxyethyl)-3-(5-methyl-2-propan-2-ylcyclohexyl)oxypropan-1-amine
CID 55088056
N-[2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]pentan-2-amine
CID 55194368
N-tert-butyl-4-(5-methyl-2-propan-2-ylcyclohexyl)oxybutan-1-amine
CID 62445917
N-[1-cyclopropyl-2-(5-methyl-2-propan-2-ylcyclohexyl)oxyethyl]propan-1-amine
CID 63907290
2-[(2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanol
CID 11651336
(1S,2R,4R)-2-(2-bromoethoxy)-4-methyl-1-propan-2-ylcyclohexane
CID 22883721
2-[(1R,2S,5R)-5-methyl-2-propan-2-ylcyclohexyl]oxyethanethiol
CID 131866620
8-[[5-(propylamino)thiadiazol-4-yl]methyl]-8-azabicyclo[3.2.1]octan-3-ol
CID 63770509

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propylthiadiazol-5-amine?
The IUPAC name of 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propylthiadiazol-5-amine (CID 63486191) is 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propylthiadiazol-5-amine.
What is the SMILES notation for 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propylthiadiazol-5-amine?
The canonical SMILES for 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propylthiadiazol-5-amine is CCCNc1snnc1COC1CC(C)CCC1C(C)C.
What is the InChIKey of 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propylthiadiazol-5-amine?
The InChIKey is HEGRFVSCVVXGKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-5-8-17-16-14(18-19-21-16)10-20-15-9-12(4)6-7-13(15)11(2)3/h11-13,15,17H,5-10H2,1-4H3.
What are the key properties of 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propylthiadiazol-5-amine?
4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propylthiadiazol-5-amine has a molecular weight of 311.50 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-2-propan-2-ylcyclohexyl)oxymethyl]-N-propylthiadiazol-5-amine is sourced from PubChem (CID 63486191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).