1-cyclopropyl-1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)methanamine

C13H20N2OS — CID 46785190

IUPAC1-cyclopropyl-1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)methanamine
SMILESCc1cnc(C(NCC2CCCO2)C2CC2)s1
InChIInChI=1S/C13H20N2OS/c1-9-7-15-13(17-9)12(10-4-5-10)14-8-11-3-2-6-16-11/h7,10-12,14H,2-6,8H2,1H3
InChIKeyMTYWJPXSLAQHEH-UHFFFAOYSA-N
MW252.38 g/mol
LogP2.67
Rot. Bonds5

About 1-cyclopropyl-1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)methanamine

1-cyclopropyl-1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)methanamine (PubChem CID 46785190) has the molecular formula C13H20N2OS and a molecular weight of 252.38 g/mol. Its IUPAC name is 1-cyclopropyl-1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-cyclopropyl-1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)methanamine
PubChem CID46785190
Molecular FormulaC13H20N2OS
Molecular Weight252.38 g/mol
Exact Mass252.13
IUPAC Name1-cyclopropyl-1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)methanamine
SMILESCc1cnc(C(NCC2CCCO2)C2CC2)s1
InChIInChI=1S/C13H20N2OS/c1-9-7-15-13(17-9)12(10-4-5-10)14-8-11-3-2-6-16-11/h7,10-12,14H,2-6,8H2,1H3
InChIKeyMTYWJPXSLAQHEH-UHFFFAOYSA-N
XLogP2.67
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)methanamine?
The IUPAC name of 1-cyclopropyl-1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)methanamine (CID 46785190) is 1-cyclopropyl-1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)methanamine.
What is the SMILES notation for 1-cyclopropyl-1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)methanamine?
The canonical SMILES for 1-cyclopropyl-1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)methanamine is Cc1cnc(C(NCC2CCCO2)C2CC2)s1.
What is the InChIKey of 1-cyclopropyl-1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)methanamine?
The InChIKey is MTYWJPXSLAQHEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2OS/c1-9-7-15-13(17-9)12(10-4-5-10)14-8-11-3-2-6-16-11/h7,10-12,14H,2-6,8H2,1H3.
What are the key properties of 1-cyclopropyl-1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)methanamine?
1-cyclopropyl-1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)methanamine has a molecular weight of 252.38 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(5-methyl-1,3-thiazol-2-yl)-N-(oxolan-2-ylmethyl)methanamine is sourced from PubChem (CID 46785190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).