N-[oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine

C13H22N2OS — CID 61330059

IUPACN-[oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(C(C)C)cs1)C1CCOC1
InChIInChI=1S/C13H22N2OS/c1-4-14-12(10-5-6-16-7-10)13-15-11(8-17-13)9(2)3/h8-10,12,14H,4-7H2,1-3H3
InChIKeyRXAIMSZCZYBGBN-UHFFFAOYSA-N
MW254.40 g/mol
LogP2.95
Rot. Bonds5

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

N-[oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine (PubChem CID 61330059) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-[oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
PubChem CID61330059
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine
SMILESCCNC(c1nc(C(C)C)cs1)C1CCOC1
InChIInChI=1S/C13H22N2OS/c1-4-14-12(10-5-6-16-7-10)13-15-11(8-17-13)9(2)3/h8-10,12,14H,4-7H2,1-3H3
InChIKeyRXAIMSZCZYBGBN-UHFFFAOYSA-N
XLogP2.95
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The IUPAC name of N-[oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine (CID 61330059) is N-[oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine.
What is the SMILES notation for N-[oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The canonical SMILES for N-[oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine is CCNC(c1nc(C(C)C)cs1)C1CCOC1.
What is the InChIKey of N-[oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
The InChIKey is RXAIMSZCZYBGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-4-14-12(10-5-6-16-7-10)13-15-11(8-17-13)9(2)3/h8-10,12,14H,4-7H2,1-3H3.
What are the key properties of N-[oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine?
N-[oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine has a molecular weight of 254.40 g/mol, XLogP of 2.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[oxolan-3-yl-(4-propan-2-yl-1,3-thiazol-2-yl)methyl]ethanamine is sourced from PubChem (CID 61330059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).