5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine

C16H29N3OS — CID 62768282

IUPAC5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(C)C2CCC(C)CC2)nc1C
InChIInChI=1S/C16H29N3OS/c1-12-5-7-14(8-6-12)19(3)16-18-13(2)15(21-16)11-17-9-10-20-4/h12,14,17H,5-11H2,1-4H3
InChIKeyNVRRIFAJSYEUBM-UHFFFAOYSA-N
MW311.50 g/mol
LogP3.20
Rot. Bonds7

About 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine

5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine (PubChem CID 62768282) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
PubChem CID62768282
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(C)C2CCC(C)CC2)nc1C
InChIInChI=1S/C16H29N3OS/c1-12-5-7-14(8-6-12)19(3)16-18-13(2)15(21-16)11-17-9-10-20-4/h12,14,17H,5-11H2,1-4H3
InChIKeyNVRRIFAJSYEUBM-UHFFFAOYSA-N
XLogP3.20
TPSA37.39 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 ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-(ethylaminomethyl)-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 55117377
N-cyclopropyl-N-(2-methoxyethyl)-5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-amine
CID 62768237
N-cyclopropyl-N-(cyclopropylmethyl)-5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-amine
CID 64519919
5-[(tert-butylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 62768606
N-cyclohexyl-N,4-dimethyl-5-(propylaminomethyl)-1,3-thiazol-2-amine
CID 62764625
5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylphenyl)-1,3-thiazol-2-amine
CID 62768224
N-(cyclopentylmethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 63655525
N-ethyl-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 62764515
N-cyclopropyl-N,4-dimethyl-5-[(2-methylpropylamino)methyl]-1,3-thiazol-2-amine
CID 62767601
5-[(tert-butylamino)methyl]-N-cyclopropyl-N,4-dimethyl-1,3-thiazol-2-amine
CID 62767600
N-(2-ethoxyethyl)-5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-1,3-thiazol-2-amine
CID 81067220
1-[5-[(2-methoxyethylamino)methyl]-4-methyl-1,3-thiazol-2-yl]-N,N-dimethylpyrrolidin-3-amine
CID 63518702

Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine?
The IUPAC name of 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine (CID 62768282) is 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine.
What is the SMILES notation for 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine?
The canonical SMILES for 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine is COCCNCc1sc(N(C)C2CCC(C)CC2)nc1C.
What is the InChIKey of 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine?
The InChIKey is NVRRIFAJSYEUBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-12-5-7-14(8-6-12)19(3)16-18-13(2)15(21-16)11-17-9-10-20-4/h12,14,17H,5-11H2,1-4H3.
What are the key properties of 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine?
5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine has a molecular weight of 311.50 g/mol, XLogP of 3.20, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine is sourced from PubChem (CID 62768282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).