[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine

C11H18N2S2 — CID 43530679

IUPAC[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
SMILESCc1csc(SC2CCCCC2CN)n1
InChIInChI=1S/C11H18N2S2/c1-8-7-14-11(13-8)15-10-5-3-2-4-9(10)6-12/h7,9-10H,2-6,12H2,1H3
InChIKeyJIVLCVPRSRLIGJ-UHFFFAOYSA-N
MW242.41 g/mol
LogP3.06
Rot. Bonds3

About [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine

[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine (PubChem CID 43530679) has the molecular formula C11H18N2S2 and a molecular weight of 242.41 g/mol. Its IUPAC name is [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
PubChem CID43530679
Molecular FormulaC11H18N2S2
Molecular Weight242.41 g/mol
Exact Mass242.09
IUPAC Name[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine
SMILESCc1csc(SC2CCCCC2CN)n1
InChIInChI=1S/C11H18N2S2/c1-8-7-14-11(13-8)15-10-5-3-2-4-9(10)6-12/h7,9-10H,2-6,12H2,1H3
InChIKeyJIVLCVPRSRLIGJ-UHFFFAOYSA-N
XLogP3.06
TPSA38.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.41
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclohexylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 4876727
1-(4,4-Difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105171584
3-Fluoro-4-(4-methyl-1,3-thiazol-2-yl)-2-propan-2-ylbutan-1-amine
CID 107443532
4-Fluoro-4-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 112562315
2-(2-Fluoro-2-piperidin-3-ylethyl)-4-methyl-1,3-thiazole
CID 112565329
3-Fluoro-3-[(4-methyl-1,3-thiazol-2-yl)methyl]cyclohexan-1-amine
CID 112567413
1-(3,3-Difluorocyclohexyl)-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 114215894
N-[(4-ethyl-1,3-thiazol-2-yl)sulfanyl]cyclohexanamine
CID 20378717
N-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexanamine
CID 20378728
4-(Cyclohexylsulfanylmethyl)-2-piperidin-4-yl-1,3-thiazole
CID 70807661
2-(2-Ethylhexylsulfanyl)-4-methyl-1,3-thiazole
CID 141400937
Cyclohexanamine;2,4-dimethyl-1,3-thiazole
CID 143316924

Frequently Asked Questions

What is the IUPAC name of [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The IUPAC name of [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine (CID 43530679) is [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine.
What is the SMILES notation for [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The canonical SMILES for [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine is Cc1csc(SC2CCCCC2CN)n1.
What is the InChIKey of [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
The InChIKey is JIVLCVPRSRLIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2S2/c1-8-7-14-11(13-8)15-10-5-3-2-4-9(10)6-12/h7,9-10H,2-6,12H2,1H3.
What are the key properties of [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine?
[2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine has a molecular weight of 242.41 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]cyclohexyl]methanamine is sourced from PubChem (CID 43530679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).