[1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]methanol

C10H18N4OS — CID 103968588

IUPAC[1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]methanol
SMILESNc1nsc(NCC2(CO)CCCCC2)n1
InChIInChI=1S/C10H18N4OS/c11-8-13-9(16-14-8)12-6-10(7-15)4-2-1-3-5-10/h15H,1-7H2,(H3,11,12,13,14)
InChIKeyZFYITOKSUGWXDZ-UHFFFAOYSA-N
MW242.35 g/mol
LogP1.48
Rot. Bonds4

About [1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]methanol

[1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]methanol (PubChem CID 103968588) has the molecular formula C10H18N4OS and a molecular weight of 242.35 g/mol. Its IUPAC name is [1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]methanol.

Molecular Properties

Compound Name[1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]methanol
PubChem CID103968588
Molecular FormulaC10H18N4OS
Molecular Weight242.35 g/mol
Exact Mass242.12
IUPAC Name[1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]methanol
SMILESNc1nsc(NCC2(CO)CCCCC2)n1
InChIInChI=1S/C10H18N4OS/c11-8-13-9(16-14-8)12-6-10(7-15)4-2-1-3-5-10/h15H,1-7H2,(H3,11,12,13,14)
InChIKeyZFYITOKSUGWXDZ-UHFFFAOYSA-N
XLogP1.48
TPSA84.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.35
LogP ≤ 51.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]methanol with MolForge

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Related Compounds

[1-[[(3-methyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol
CID 115360758
1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentan-1-ol
CID 66277916
[1-[[(3-ethyl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclopentyl]methanol
CID 115360719
5-N-[(1-methylcyclopentyl)methyl]-1,2,4-thiadiazole-3,5-diamine
CID 66278132
[1-[[(4-amino-6-methyl-1,3,5-triazin-2-yl)amino]methyl]cyclohexyl]methanol
CID 112746327
[1-[[(2-amino-5-methylpyrimidin-4-yl)amino]methyl]cyclohexyl]methanol
CID 103968719
2-[1-[[(3-propan-2-yl-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]acetic acid
CID 65270509
[4-[[[3-(dimethylamino)-1,2,4-thiadiazol-5-yl]amino]methyl]oxan-4-yl]methanol
CID 122565094
[1-[[(4-ethyl-1,3-thiazol-2-yl)amino]methyl]cyclopentyl]methanol
CID 115360729
[1-[[(2-aminopyrimidin-4-yl)amino]methyl]cyclopentyl]methanol
CID 115366395
[1-[(4-aminoanilino)methyl]cyclohexyl]methanol
CID 103965357
[1-[(2,1-benzothiazol-3-ylamino)methyl]cyclopentyl]methanol
CID 113294048

Frequently Asked Questions

What is the IUPAC name of [1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]methanol?
The IUPAC name of [1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]methanol (CID 103968588) is [1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]methanol.
What is the SMILES notation for [1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]methanol?
The canonical SMILES for [1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]methanol is Nc1nsc(NCC2(CO)CCCCC2)n1.
What is the InChIKey of [1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]methanol?
The InChIKey is ZFYITOKSUGWXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N4OS/c11-8-13-9(16-14-8)12-6-10(7-15)4-2-1-3-5-10/h15H,1-7H2,(H3,11,12,13,14).
What are the key properties of [1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]methanol?
[1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]methanol has a molecular weight of 242.35 g/mol, XLogP of 1.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[[(3-amino-1,2,4-thiadiazol-5-yl)amino]methyl]cyclohexyl]methanol is sourced from PubChem (CID 103968588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).