1-[(2S)-oxolan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine

C9H14N2OS — CID 7175916

IUPAC1-[(2S)-oxolan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1csc(CNC[C@@H]2CCCO2)n1
InChIInChI=1S/C9H14N2OS/c1-2-8(12-4-1)6-10-7-9-11-3-5-13-9/h3,5,8,10H,1-2,4,6-7H2/t8-/m0/s1
InChIKeyBJQDUWDHDLFWMO-QMMMGPOBSA-N
MW198.29 g/mol
LogP1.41
Rot. Bonds4

About 1-[(2S)-oxolan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine

1-[(2S)-oxolan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine (PubChem CID 7175916) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 1-[(2S)-oxolan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine.

Molecular Properties

Compound Name1-[(2S)-oxolan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
PubChem CID7175916
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name1-[(2S)-oxolan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine
SMILESc1csc(CNC[C@@H]2CCCO2)n1
InChIInChI=1S/C9H14N2OS/c1-2-8(12-4-1)6-10-7-9-11-3-5-13-9/h3,5,8,10H,1-2,4,6-7H2/t8-/m0/s1
InChIKeyBJQDUWDHDLFWMO-QMMMGPOBSA-N
XLogP1.41
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(Pyrrolidin-3-yloxy)methyl]-1,3-thiazole
CID 75356563
(Tetrahydro-furan-2-ylmethyl)-thiazol-2-ylmethyl-amine
CID 4777618
N-[(tetrahydro-2-furanyl)methyl]-2-Thiazolamine
CID 43081850
2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole
CID 57223689
2-(Pyrrolidin-3-yloxy)-1,3-thiazole
CID 62347812
2-(Oxolan-2-yl)-1,3-thiazole
CID 67260446
2-[[(2S)-2-methylpyrrolidin-2-yl]methoxy]-1,3-thiazole;hydrochloride
CID 70083467
N-(oxolan-2-ylmethyl)-3-(1,3-thiazol-2-yl)propanamide
CID 90013649
(4S,5R)-4-ethyl-5-(1,3-thiazol-2-yl)-1,3-oxazolidine
CID 90134850
3-methoxy-2-methyl-3-pyrrolidin-2-yl-N-(1,3-thiazol-2-ylmethyl)propanethioamide
CID 123769848
3-propyl-N-(1,3-thiazol-2-ylmethyl)oxiran-2-amine
CID 129060072
(5S)-5-methyl-2-(1,3-thiazol-2-yl)-1,3-oxazolidine
CID 175308057

Frequently Asked Questions

What is the IUPAC name of 1-[(2S)-oxolan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The IUPAC name of 1-[(2S)-oxolan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine (CID 7175916) is 1-[(2S)-oxolan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine.
What is the SMILES notation for 1-[(2S)-oxolan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The canonical SMILES for 1-[(2S)-oxolan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine is c1csc(CNC[C@@H]2CCCO2)n1.
What is the InChIKey of 1-[(2S)-oxolan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
The InChIKey is BJQDUWDHDLFWMO-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-2-8(12-4-1)6-10-7-9-11-3-5-13-9/h3,5,8,10H,1-2,4,6-7H2/t8-/m0/s1.
What are the key properties of 1-[(2S)-oxolan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine?
1-[(2S)-oxolan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine has a molecular weight of 198.29 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2S)-oxolan-2-yl]-N-(1,3-thiazol-2-ylmethyl)methanamine is sourced from PubChem (CID 7175916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).