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

C12H20N2OS — CID 96519843

IUPAC2-(4-methyl-1,3-thiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine
SMILESCc1csc(C(C)(C)NC[C@@H]2CCOC2)n1
InChIInChI=1S/C12H20N2OS/c1-9-8-16-11(14-9)12(2,3)13-6-10-4-5-15-7-10/h8,10,13H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyPUKDCKIEEYVADQ-JTQLQIEISA-N
MW240.37 g/mol
LogP2.31
Rot. Bonds4

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

2-(4-methyl-1,3-thiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine (PubChem CID 96519843) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is 2-(4-methyl-1,3-thiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-(4-methyl-1,3-thiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine
PubChem CID96519843
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name2-(4-methyl-1,3-thiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine
SMILESCc1csc(C(C)(C)NC[C@@H]2CCOC2)n1
InChIInChI=1S/C12H20N2OS/c1-9-8-16-11(14-9)12(2,3)13-6-10-4-5-15-7-10/h8,10,13H,4-7H2,1-3H3/t10-/m0/s1
InChIKeyPUKDCKIEEYVADQ-JTQLQIEISA-N
XLogP2.31
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.37
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-N-(oxolan-3-ylmethyl)-1,3-thiazol-2-amine
CID 62963555
2-(4-methyl-1,3-thiazol-2-yl)-N-(thiophen-2-ylmethyl)propan-2-amine
CID 115630862
2-(4-methyl-1,3-thiazol-2-yl)-N-(1,3-thiazol-4-ylmethyl)propan-2-amine
CID 115630861
(2R)-1-cyclopropyl-2-(4-methyl-1,3-thiazol-2-yl)propan-2-amine
CID 124679641
N-[(2-tert-butyl-1,3-thiazol-4-yl)methyl]-1-(oxan-3-yl)methanamine
CID 115592245
2-methyl-2-(oxolan-3-ylmethylamino)butanoic acid
CID 78969295
1,5-dimethyl-N-(oxolan-3-ylmethyl)pyrazol-4-amine
CID 115899682
2,5-dimethyl-N-(oxolan-3-ylmethyl)pyrazol-3-amine
CID 131047869
N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]oxolan-3-amine
CID 63335162
1-cyclobutyl-2-(4-methyl-1,3-thiazol-2-yl)-N-propan-2-ylpropan-2-amine
CID 113490154
1-(4-tert-butylphenyl)-N-(oxolan-3-ylmethyl)ethanamine
CID 43674130
methyl 2-(oxolan-3-ylmethylamino)-1,3-thiazole-4-carboxylate
CID 115424307

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine?
The IUPAC name of 2-(4-methyl-1,3-thiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine (CID 96519843) is 2-(4-methyl-1,3-thiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine.
What is the SMILES notation for 2-(4-methyl-1,3-thiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine?
The canonical SMILES for 2-(4-methyl-1,3-thiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine is Cc1csc(C(C)(C)NC[C@@H]2CCOC2)n1.
What is the InChIKey of 2-(4-methyl-1,3-thiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine?
The InChIKey is PUKDCKIEEYVADQ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H20N2OS/c1-9-8-16-11(14-9)12(2,3)13-6-10-4-5-15-7-10/h8,10,13H,4-7H2,1-3H3/t10-/m0/s1.
What are the key properties of 2-(4-methyl-1,3-thiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine?
2-(4-methyl-1,3-thiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine has a molecular weight of 240.37 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,3-thiazol-2-yl)-N-[[(3S)-oxolan-3-yl]methyl]propan-2-amine is sourced from PubChem (CID 96519843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).