[2-(oxolan-3-ylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

C12H20N2OS — CID 114361502

IUPAC[2-(oxolan-3-ylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCC(C)c1nc(CC2CCOC2)sc1CN
InChIInChI=1S/C12H20N2OS/c1-8(2)12-10(6-13)16-11(14-12)5-9-3-4-15-7-9/h8-9H,3-7,13H2,1-2H3
InChIKeyAHHACWBLROMPNY-UHFFFAOYSA-N
MW240.37 g/mol
LogP2.30
Rot. Bonds4

About [2-(oxolan-3-ylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine

[2-(oxolan-3-ylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (PubChem CID 114361502) has the molecular formula C12H20N2OS and a molecular weight of 240.37 g/mol. Its IUPAC name is [2-(oxolan-3-ylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.

Molecular Properties

Compound Name[2-(oxolan-3-ylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
PubChem CID114361502
Molecular FormulaC12H20N2OS
Molecular Weight240.37 g/mol
Exact Mass240.13
IUPAC Name[2-(oxolan-3-ylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
SMILESCC(C)c1nc(CC2CCOC2)sc1CN
InChIInChI=1S/C12H20N2OS/c1-8(2)12-10(6-13)16-11(14-12)5-9-3-4-15-7-9/h8-9H,3-7,13H2,1-2H3
InChIKeyAHHACWBLROMPNY-UHFFFAOYSA-N
XLogP2.30
TPSA48.14 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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-2-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 103987924
[2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methanamine
CID 114361262
2-methyl-N-[[2-(oxolan-3-ylmethyl)-4-propyl-1,3-thiazol-5-yl]methyl]propan-2-amine
CID 114364653
N-[[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]methyl]propan-2-amine
CID 103987716
5-bromo-2-(oxolan-3-ylmethyl)-6-propan-2-ylpyrimidin-4-amine
CID 103987858
[2-(cyclopropylmethyl)-4-(2-methylpropyl)-1,3-thiazol-5-yl]methanamine
CID 114362179
2-[5-(aminomethyl)-4-propan-2-yl-1,3-thiazol-2-yl]-N,N-dimethylethanamine
CID 82435380
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-4-yl]propan-2-amine
CID 115087995
[2-(4-methoxyoxan-4-yl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine
CID 114361367
2-(oxolan-3-ylmethyl)-4,5,6,7-tetrahydro-1,3-benzothiazol-4-amine
CID 103987709
N-methyl-1-[2-(oxolan-3-ylmethyl)-1,3-thiazol-5-yl]methanamine
CID 103987689
4-(methoxymethyl)-2-(oxolan-3-ylmethyl)-1,3-thiazole-5-carboxylic acid
CID 114359934

Frequently Asked Questions

What is the IUPAC name of [2-(oxolan-3-ylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The IUPAC name of [2-(oxolan-3-ylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine (CID 114361502) is [2-(oxolan-3-ylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine.
What is the SMILES notation for [2-(oxolan-3-ylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The canonical SMILES for [2-(oxolan-3-ylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is CC(C)c1nc(CC2CCOC2)sc1CN.
What is the InChIKey of [2-(oxolan-3-ylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
The InChIKey is AHHACWBLROMPNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2OS/c1-8(2)12-10(6-13)16-11(14-12)5-9-3-4-15-7-9/h8-9H,3-7,13H2,1-2H3.
What are the key properties of [2-(oxolan-3-ylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine?
[2-(oxolan-3-ylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine has a molecular weight of 240.37 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(oxolan-3-ylmethyl)-4-propan-2-yl-1,3-thiazol-5-yl]methanamine is sourced from PubChem (CID 114361502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).