1-[4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

C15H18N2OS — CID 82436409

IUPAC1-[4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(COc2ccccc2)nc1C1CC1
InChIInChI=1S/C15H18N2OS/c1-16-9-13-15(11-7-8-11)17-14(19-13)10-18-12-5-3-2-4-6-12/h2-6,11,16H,7-10H2,1H3
InChIKeyYRKDMNAFKFZTEA-UHFFFAOYSA-N
MW274.39 g/mol
LogP3.32
Rot. Bonds6

About 1-[4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine

1-[4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (PubChem CID 82436409) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 1-[4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
PubChem CID82436409
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name1-[4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
SMILESCNCc1sc(COc2ccccc2)nc1C1CC1
InChIInChI=1S/C15H18N2OS/c1-16-9-13-15(11-7-8-11)17-14(19-13)10-18-12-5-3-2-4-6-12/h2-6,11,16H,7-10H2,1H3
InChIKeyYRKDMNAFKFZTEA-UHFFFAOYSA-N
XLogP3.32
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-cyclopropyl-2-[(4-fluorophenoxy)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82436579
1-[4-(methoxymethyl)-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 82440375
[4-cyclopropyl-2-[(4-methylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436466
1-(4-cyclopropyl-2-propyl-1,3-thiazol-5-yl)-N-methylmethanamine
CID 82436151
1-[4-cyclopropyl-2-(cyclopropylmethyl)-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114367019
[4-cyclopropyl-2-(2-phenoxyethyl)-1,3-thiazol-5-yl]methanamine
CID 82437103
[4-cyclopropyl-2-[(3-ethylphenoxy)methyl]-1,3-thiazol-5-yl]methanamine
CID 82436502
1-[4-cyclopropyl-2-[(3,4-dimethylphenyl)methyl]-1,3-thiazol-5-yl]-N-methylmethanamine
CID 114366991
4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazole-5-carboximidamide
CID 82436415
[2-[(3-chlorophenoxy)methyl]-4-cyclopropyl-1,3-thiazol-5-yl]methanol
CID 82436608
N-[(2-benzyl-4-cyclopropyl-1,3-thiazol-5-yl)methyl]-2-methoxyethanamine
CID 82436086
N-methyl-2-(phenoxymethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-7-amine
CID 62717405

Frequently Asked Questions

What is the IUPAC name of 1-[4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine (CID 82436409) is 1-[4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is CNCc1sc(COc2ccccc2)nc1C1CC1.
What is the InChIKey of 1-[4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
The InChIKey is YRKDMNAFKFZTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-16-9-13-15(11-7-8-11)17-14(19-13)10-18-12-5-3-2-4-6-12/h2-6,11,16H,7-10H2,1H3.
What are the key properties of 1-[4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine?
1-[4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine has a molecular weight of 274.39 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-cyclopropyl-2-(phenoxymethyl)-1,3-thiazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 82436409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).