1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-4-methylcyclohexan-1-amine

C13H20N2S2 — CID 54981264

IUPAC1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2nc3c(s2)CSCC3)CC1
InChIInChI=1S/C13H20N2S2/c1-9-2-5-13(14,6-3-9)12-15-10-4-7-16-8-11(10)17-12/h9H,2-8,14H2,1H3
InChIKeyCJADQMGBGJNBGQ-UHFFFAOYSA-N
MW268.45 g/mol
LogP3.30
Rot. Bonds1

About 1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-4-methylcyclohexan-1-amine

1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-4-methylcyclohexan-1-amine (PubChem CID 54981264) has the molecular formula C13H20N2S2 and a molecular weight of 268.45 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-4-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-4-methylcyclohexan-1-amine
PubChem CID54981264
Molecular FormulaC13H20N2S2
Molecular Weight268.45 g/mol
Exact Mass268.11
IUPAC Name1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-4-methylcyclohexan-1-amine
SMILESCC1CCC(N)(c2nc3c(s2)CSCC3)CC1
InChIInChI=1S/C13H20N2S2/c1-9-2-5-13(14,6-3-9)12-15-10-4-7-16-8-11(10)17-12/h9H,2-8,14H2,1H3
InChIKeyCJADQMGBGJNBGQ-UHFFFAOYSA-N
XLogP3.30
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.45
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-4-methylcyclohexan-1-amine with MolForge

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Related Compounds

1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-methylcycloheptan-1-amine
CID 65085220
4-methyl-1-spiro[5,7-dihydro-4H-1,3-benzothiazole-6,1'-cyclopentane]-2-ylcyclohexan-1-amine
CID 114818537
4-ethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 61338476
3,3-dimethyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclopentan-1-amine
CID 80699805
1-(6-propyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cycloheptan-1-amine
CID 63526246
N-cyclopropyl-4-methyl-1-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)cyclohexan-1-amine
CID 61335863
1-(5-bromo-1,3-thiazol-2-yl)-4-methylcyclohexan-1-amine
CID 66221962
1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2,5-dimethylcyclohexan-1-amine
CID 64754364
1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)ethanone
CID 63379224
1-[4-(4-chlorophenyl)-5-methyl-1,3-thiazol-2-yl]-4-methylcyclohexan-1-amine
CID 61337892
3-cyclopropyl-1-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)cyclohexan-1-amine
CID 64624248
N-tert-butyl-6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-amine
CID 62941268

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-4-methylcyclohexan-1-amine?
The IUPAC name of 1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-4-methylcyclohexan-1-amine (CID 54981264) is 1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-4-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-4-methylcyclohexan-1-amine?
The canonical SMILES for 1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-4-methylcyclohexan-1-amine is CC1CCC(N)(c2nc3c(s2)CSCC3)CC1.
What is the InChIKey of 1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-4-methylcyclohexan-1-amine?
The InChIKey is CJADQMGBGJNBGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2S2/c1-9-2-5-13(14,6-3-9)12-15-10-4-7-16-8-11(10)17-12/h9H,2-8,14H2,1H3.
What are the key properties of 1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-4-methylcyclohexan-1-amine?
1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-4-methylcyclohexan-1-amine has a molecular weight of 268.45 g/mol, XLogP of 3.30, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)-4-methylcyclohexan-1-amine is sourced from PubChem (CID 54981264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).