3-(cyclopropylmethoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine

C12H20N2OS — CID 28781676

IUPAC3-(cyclopropylmethoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCc1nc(CNCCCOCC2CC2)cs1
InChIInChI=1S/C12H20N2OS/c1-10-14-12(9-16-10)7-13-5-2-6-15-8-11-3-4-11/h9,11,13H,2-8H2,1H3
InChIKeyZBUJWVPSAOCZHO-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.36
Rot. Bonds8

About 3-(cyclopropylmethoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine

3-(cyclopropylmethoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine (PubChem CID 28781676) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 3-(cyclopropylmethoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine.

Molecular Properties

Compound Name3-(cyclopropylmethoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
PubChem CID28781676
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name3-(cyclopropylmethoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine
SMILESCc1nc(CNCCCOCC2CC2)cs1
InChIInChI=1S/C12H20N2OS/c1-10-14-12(9-16-10)7-13-5-2-6-15-8-11-3-4-11/h9,11,13H,2-8H2,1H3
InChIKeyZBUJWVPSAOCZHO-UHFFFAOYSA-N
XLogP2.36
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-Isopropyl-4-(N-methyl)amino-methyl thiazole
CID 10749687
1-(4-cyclopropylmorpholin-2-yl)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]methanamine
CID 53584391
{[2-(1-Ethoxyethyl)-1,3-thiazol-4-yl]methyl}(methyl)amine
CID 54595767
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 54962133
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 60732804
N-[(2-ethyl-1,3-thiazol-4-yl)methyl]-2-(2,2,2-trifluoroethoxy)ethanamine
CID 61526468
N-[[2-[(2-methylpropylamino)methyl]-1,3-thiazol-4-yl]methyl]-N-(2,2,2-trifluoroethyl)cyclopropanamine
CID 62428422
N-[1-(4-methyl-1,3-thiazol-2-yl)ethyl]-3-(2,2,2-trifluoroethoxy)propan-1-amine
CID 64480276
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-(trifluoromethoxy)ethanamine
CID 65804057
2,2,2-trifluoro-N-[[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]methyl]ethanamine
CID 102929647
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-2-(2,2-difluoroethoxy)ethanamine
CID 103081109
2-(2,2-difluoroethoxy)-N-[(2-ethyl-1,3-thiazol-4-yl)methyl]ethanamine
CID 103081178

Frequently Asked Questions

What is the IUPAC name of 3-(cyclopropylmethoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The IUPAC name of 3-(cyclopropylmethoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine (CID 28781676) is 3-(cyclopropylmethoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine.
What is the SMILES notation for 3-(cyclopropylmethoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The canonical SMILES for 3-(cyclopropylmethoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine is Cc1nc(CNCCCOCC2CC2)cs1.
What is the InChIKey of 3-(cyclopropylmethoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine?
The InChIKey is ZBUJWVPSAOCZHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-10-14-12(9-16-10)7-13-5-2-6-15-8-11-3-4-11/h9,11,13H,2-8H2,1H3.
What are the key properties of 3-(cyclopropylmethoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine?
3-(cyclopropylmethoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine has a molecular weight of 240.37 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopropylmethoxy)-N-[(2-methyl-1,3-thiazol-4-yl)methyl]propan-1-amine is sourced from PubChem (CID 28781676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).