4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine

C15H25N3O2S — CID 82735074

IUPAC4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(C)C2CCOC2)nc1C1CC1
InChIInChI=1S/C15H25N3O2S/c1-18(12-5-7-20-10-12)15-17-14(11-3-4-11)13(21-15)9-16-6-8-19-2/h11-12,16H,3-10H2,1-2H3
InChIKeyNIQQHNOXDQMLHF-UHFFFAOYSA-N
MW311.45 g/mol
LogP1.98
Rot. Bonds8

About 4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine

4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine (PubChem CID 82735074) has the molecular formula C15H25N3O2S and a molecular weight of 311.45 g/mol. Its IUPAC name is 4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
PubChem CID82735074
Molecular FormulaC15H25N3O2S
Molecular Weight311.45 g/mol
Exact Mass311.17
IUPAC Name4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
SMILESCOCCNCc1sc(N(C)C2CCOC2)nc1C1CC1
InChIInChI=1S/C15H25N3O2S/c1-18(12-5-7-20-10-12)15-17-14(11-3-4-11)13(21-15)9-16-6-8-19-2/h11-12,16H,3-10H2,1-2H3
InChIKeyNIQQHNOXDQMLHF-UHFFFAOYSA-N
XLogP1.98
TPSA46.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.45
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine with MolForge

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Related Compounds

N-butan-2-yl-4-cyclopropyl-N-ethyl-5-[(2-methoxyethylamino)methyl]-1,3-thiazol-2-amine
CID 63918309
5-[(2-methoxyethylamino)methyl]-N,4-dimethyl-N-(4-methylcyclohexyl)-1,3-thiazol-2-amine
CID 62768282
5-[(tert-butylamino)methyl]-4-(methoxymethyl)-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 107510654
4-cyclopropyl-5-(ethylaminomethyl)-N-(3-methoxypropyl)-N-methyl-1,3-thiazol-2-amine
CID 63916243
4-[(2-methoxyethylamino)methyl]-N,1,3-trimethyl-N-(oxolan-3-yl)pyrazol-5-amine
CID 82742332
5-(ethylaminomethyl)-4-(methoxymethyl)-N-methyl-N-(oxan-4-yl)-1,3-thiazol-2-amine
CID 107509875
5-(aminomethyl)-N,4-dimethyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82753856
N-cyclopentyl-4-cyclopropyl-N-methyl-5-[(propan-2-ylamino)methyl]-1,3-thiazol-2-amine
CID 63917340
4-cyclopropyl-5-(ethylaminomethyl)-N-methyl-N-(1-methylpiperidin-3-yl)-1,3-thiazol-2-amine
CID 63917164
N-[[4-cyclopropyl-2-(furan-2-yl)-1,3-thiazol-5-yl]methyl]-2-methoxyethanamine
CID 82437446
N-[(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82436086
5-(aminomethyl)-4-ethyl-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine
CID 82754917

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The IUPAC name of 4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine (CID 82735074) is 4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine.
What is the SMILES notation for 4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The canonical SMILES for 4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine is COCCNCc1sc(N(C)C2CCOC2)nc1C1CC1.
What is the InChIKey of 4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
The InChIKey is NIQQHNOXDQMLHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2S/c1-18(12-5-7-20-10-12)15-17-14(11-3-4-11)13(21-15)9-16-6-8-19-2/h11-12,16H,3-10H2,1-2H3.
What are the key properties of 4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine?
4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine has a molecular weight of 311.45 g/mol, XLogP of 1.98, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-5-[(2-methoxyethylamino)methyl]-N-methyl-N-(oxolan-3-yl)-1,3-thiazol-2-amine is sourced from PubChem (CID 82735074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).