4-chloro-N-[(4-methylcyclohexyl)methyl]-1,2,5-thiadiazol-3-amine

C10H16ClN3S — CID 63549782

IUPAC4-chloro-N-[(4-methylcyclohexyl)methyl]-1,2,5-thiadiazol-3-amine
SMILESCC1CCC(CNc2nsnc2Cl)CC1
InChIInChI=1S/C10H16ClN3S/c1-7-2-4-8(5-3-7)6-12-10-9(11)13-15-14-10/h7-8H,2-6H2,1H3,(H,12,14)
InChIKeyIRFPXBXBQOUAIO-UHFFFAOYSA-N
MW245.78 g/mol
LogP3.43
Rot. Bonds3

About 4-chloro-N-[(4-methylcyclohexyl)methyl]-1,2,5-thiadiazol-3-amine

4-chloro-N-[(4-methylcyclohexyl)methyl]-1,2,5-thiadiazol-3-amine (PubChem CID 63549782) has the molecular formula C10H16ClN3S and a molecular weight of 245.78 g/mol. Its IUPAC name is 4-chloro-N-[(4-methylcyclohexyl)methyl]-1,2,5-thiadiazol-3-amine.

Molecular Properties

Compound Name4-chloro-N-[(4-methylcyclohexyl)methyl]-1,2,5-thiadiazol-3-amine
PubChem CID63549782
Molecular FormulaC10H16ClN3S
Molecular Weight245.78 g/mol
Exact Mass245.08
IUPAC Name4-chloro-N-[(4-methylcyclohexyl)methyl]-1,2,5-thiadiazol-3-amine
SMILESCC1CCC(CNc2nsnc2Cl)CC1
InChIInChI=1S/C10H16ClN3S/c1-7-2-4-8(5-3-7)6-12-10-9(11)13-15-14-10/h7-8H,2-6H2,1H3,(H,12,14)
InChIKeyIRFPXBXBQOUAIO-UHFFFAOYSA-N
XLogP3.43
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.78
LogP ≤ 53.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1,1-dioxothiolan-3-yl)methyl]-1,2,5-thiadiazol-3-amine
CID 62131982
6-chloro-2-ethyl-5-methyl-N-[(4-methylcyclohexyl)methyl]pyrimidin-4-amine
CID 80972098
3,5-dichloro-2-N-methyl-6-N-[(4-methylcyclohexyl)methyl]pyridine-2,6-diamine
CID 102758204
methyl 4-chloro-2-[(4-methylcyclohexyl)methylamino]-1,3-thiazole-5-carboxylate
CID 61372601
5-bromo-3-chloro-N-[(4-methylcyclohexyl)methyl]pyridin-2-amine
CID 103582514
6-[(4-methylcyclohexyl)methylamino]-2H-1,2,4-triazine-3,5-dione
CID 61371432
4-chloro-N-[(4-ethylmorpholin-2-yl)methyl]-1,2,5-thiadiazol-3-amine
CID 114400988
6-chloro-N-[(4-methylcyclohexyl)methyl]-3-nitropyridin-2-amine
CID 63549781
6-chloro-2-ethyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414780
6-chloro-2-cyclopropyl-5-methyl-N-[(3-methylcyclopentyl)methyl]pyrimidin-4-amine
CID 107414813
N-(cyclopropylmethyl)-1-(4-methylcyclohexyl)methanamine
CID 63001385
3-methyl-2-N-[(4-methylcyclohexyl)methyl]pyridine-2,5-diamine
CID 55176213

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(4-methylcyclohexyl)methyl]-1,2,5-thiadiazol-3-amine?
The IUPAC name of 4-chloro-N-[(4-methylcyclohexyl)methyl]-1,2,5-thiadiazol-3-amine (CID 63549782) is 4-chloro-N-[(4-methylcyclohexyl)methyl]-1,2,5-thiadiazol-3-amine.
What is the SMILES notation for 4-chloro-N-[(4-methylcyclohexyl)methyl]-1,2,5-thiadiazol-3-amine?
The canonical SMILES for 4-chloro-N-[(4-methylcyclohexyl)methyl]-1,2,5-thiadiazol-3-amine is CC1CCC(CNc2nsnc2Cl)CC1.
What is the InChIKey of 4-chloro-N-[(4-methylcyclohexyl)methyl]-1,2,5-thiadiazol-3-amine?
The InChIKey is IRFPXBXBQOUAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16ClN3S/c1-7-2-4-8(5-3-7)6-12-10-9(11)13-15-14-10/h7-8H,2-6H2,1H3,(H,12,14).
What are the key properties of 4-chloro-N-[(4-methylcyclohexyl)methyl]-1,2,5-thiadiazol-3-amine?
4-chloro-N-[(4-methylcyclohexyl)methyl]-1,2,5-thiadiazol-3-amine has a molecular weight of 245.78 g/mol, XLogP of 3.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(4-methylcyclohexyl)methyl]-1,2,5-thiadiazol-3-amine is sourced from PubChem (CID 63549782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).