N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine

C13H22N2OS — CID 129003995

IUPACN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
SMILESCc1ncsc1CNC[C@H]1CCO[C@@H]1C(C)C
InChIInChI=1S/C13H22N2OS/c1-9(2)13-11(4-5-16-13)6-14-7-12-10(3)15-8-17-12/h8-9,11,13-14H,4-7H2,1-3H3/t11-,13-/m1/s1
InChIKeyVRQTWMDIRWYWAN-DGCLKSJQSA-N
MW254.40 g/mol
LogP2.60
Rot. Bonds5

About N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine

N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine (PubChem CID 129003995) has the molecular formula C13H22N2OS and a molecular weight of 254.40 g/mol. Its IUPAC name is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine.

Molecular Properties

Compound NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
PubChem CID129003995
Molecular FormulaC13H22N2OS
Molecular Weight254.40 g/mol
Exact Mass254.15
IUPAC NameN-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
SMILESCc1ncsc1CNC[C@H]1CCO[C@@H]1C(C)C
InChIInChI=1S/C13H22N2OS/c1-9(2)13-11(4-5-16-13)6-14-7-12-10(3)15-8-17-12/h8-9,11,13-14H,4-7H2,1-3H3/t11-,13-/m1/s1
InChIKeyVRQTWMDIRWYWAN-DGCLKSJQSA-N
XLogP2.60
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 ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine with MolForge

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Related Compounds

N-[(2-methyl-3-pyridinyl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
CID 129005157
1-[(2R,3S)-2-(2-ethylpyrazol-3-yl)oxolan-3-yl]-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 128976192
1-(4-methylmorpholin-2-yl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]methanamine
CID 79032822
N-[(5-ethylfuran-2-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
CID 129000253
N-(furan-2-ylmethyl)-1-(2-propan-2-yloxolan-3-yl)methanamine
CID 115677915
N-[(2-morpholin-4-ylpyrimidin-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
CID 129000274
4-[[(4-methyl-1,3-thiazol-5-yl)methylamino]methyl]cyclopent-2-en-1-amine
CID 79206994
N-[(1-methylpyrrol-2-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine
CID 128998062
1-cyclobutyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115717718
3-cyclopropyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]propan-1-amine
CID 115654281
2-(2-methylpropylsulfanyl)-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 115768977
(1R)-1-cyclohexyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]ethanamine
CID 81384108

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine?
The IUPAC name of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine (CID 129003995) is N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine.
What is the SMILES notation for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine?
The canonical SMILES for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine is Cc1ncsc1CNC[C@H]1CCO[C@@H]1C(C)C.
What is the InChIKey of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine?
The InChIKey is VRQTWMDIRWYWAN-DGCLKSJQSA-N. The full InChI is InChI=1S/C13H22N2OS/c1-9(2)13-11(4-5-16-13)6-14-7-12-10(3)15-8-17-12/h8-9,11,13-14H,4-7H2,1-3H3/t11-,13-/m1/s1.
What are the key properties of N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine?
N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine has a molecular weight of 254.40 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-thiazol-5-yl)methyl]-1-[(2R,3R)-2-propan-2-yloxolan-3-yl]methanamine is sourced from PubChem (CID 129003995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).