N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-1-amine

C14H24N2OS — CID 63740783

IUPACN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1nc(C)c(C)s1)C1CCCOC1
InChIInChI=1S/C14H24N2OS/c1-4-7-15-13(12-6-5-8-17-9-12)14-16-10(2)11(3)18-14/h12-13,15H,4-9H2,1-3H3
InChIKeyHSPMNTLTMNFZMH-UHFFFAOYSA-N
MW268.43 g/mol
LogP3.23
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-1-amine

N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-1-amine (PubChem CID 63740783) has the molecular formula C14H24N2OS and a molecular weight of 268.43 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-1-amine.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-1-amine
PubChem CID63740783
Molecular FormulaC14H24N2OS
Molecular Weight268.43 g/mol
Exact Mass268.16
IUPAC NameN-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-1-amine
SMILESCCCNC(c1nc(C)c(C)s1)C1CCCOC1
InChIInChI=1S/C14H24N2OS/c1-4-7-15-13(12-6-5-8-17-9-12)14-16-10(2)11(3)18-14/h12-13,15H,4-9H2,1-3H3
InChIKeyHSPMNTLTMNFZMH-UHFFFAOYSA-N
XLogP3.23
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.43
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-1-amine?
The IUPAC name of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-1-amine (CID 63740783) is N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-1-amine.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-1-amine?
The canonical SMILES for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-1-amine is CCCNC(c1nc(C)c(C)s1)C1CCCOC1.
What is the InChIKey of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-1-amine?
The InChIKey is HSPMNTLTMNFZMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2OS/c1-4-7-15-13(12-6-5-8-17-9-12)14-16-10(2)11(3)18-14/h12-13,15H,4-9H2,1-3H3.
What are the key properties of N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-1-amine?
N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-1-amine has a molecular weight of 268.43 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-thiazol-2-yl)-(oxan-3-yl)methyl]propan-1-amine is sourced from PubChem (CID 63740783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).