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

C13H22N2OS — CID 124757034

IUPACN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine
SMILESCc1nc(CN(C)CCC[C@H]2CCCO2)cs1
InChIInChI=1S/C13H22N2OS/c1-11-14-12(10-17-11)9-15(2)7-3-5-13-6-4-8-16-13/h10,13H,3-9H2,1-2H3/t13-/m0/s1
InChIKeyVKLQMXGNEVPFKK-ZDUSSCGKSA-N
MW254.40 g/mol
LogP2.84
Rot. Bonds6

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

N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine (PubChem CID 124757034) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine.

Molecular Properties

Compound NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine
PubChem CID124757034
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine
SMILESCc1nc(CN(C)CCC[C@H]2CCCO2)cs1
InChIInChI=1S/C13H22N2OS/c1-11-14-12(10-17-11)9-15(2)7-3-5-13-6-4-8-16-13/h10,13H,3-9H2,1-2H3/t13-/m0/s1
InChIKeyVKLQMXGNEVPFKK-ZDUSSCGKSA-N
XLogP2.84
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.40
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine?
The IUPAC name of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine (CID 124757034) is N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine.
What is the SMILES notation for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine?
The canonical SMILES for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine is Cc1nc(CN(C)CCC[C@H]2CCCO2)cs1.
What is the InChIKey of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine?
The InChIKey is VKLQMXGNEVPFKK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-11-14-12(10-17-11)9-15(2)7-3-5-13-6-4-8-16-13/h10,13H,3-9H2,1-2H3/t13-/m0/s1.
What are the key properties of N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine?
N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine has a molecular weight of 254.40 g/mol, XLogP of 2.84, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-[(2S)-oxolan-2-yl]propan-1-amine is sourced from PubChem (CID 124757034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).