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

C9H14N2OS — CID 29273849

IUPAC4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1csc(NC[C@@H]2CCCO2)n1
InChIInChI=1S/C9H14N2OS/c1-7-6-13-9(11-7)10-5-8-3-2-4-12-8/h6,8H,2-5H2,1H3,(H,10,11)/t8-/m0/s1
InChIKeyVWLMRMKWLYRBMA-QMMMGPOBSA-N
MW198.29 g/mol
LogP2.04
Rot. Bonds3

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

4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 29273849) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
PubChem CID29273849
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
SMILESCc1csc(NC[C@@H]2CCCO2)n1
InChIInChI=1S/C9H14N2OS/c1-7-6-13-9(11-7)10-5-8-3-2-4-12-8/h6,8H,2-5H2,1H3,(H,10,11)/t8-/m0/s1
InChIKeyVWLMRMKWLYRBMA-QMMMGPOBSA-N
XLogP2.04
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.29
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine (CID 29273849) is 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine is Cc1csc(NC[C@@H]2CCCO2)n1.
What is the InChIKey of 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is VWLMRMKWLYRBMA-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H14N2OS/c1-7-6-13-9(11-7)10-5-8-3-2-4-12-8/h6,8H,2-5H2,1H3,(H,10,11)/t8-/m0/s1.
What are the key properties of 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine?
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine has a molecular weight of 198.29 g/mol, XLogP of 2.04, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 29273849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).