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

C9H14N2OS — CID 29273850

IUPAC4-methyl-N-[[(2R)-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-/m1/s1
InChIKeyVWLMRMKWLYRBMA-MRVPVSSYSA-N
MW198.29 g/mol
LogP2.04
Rot. Bonds3

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

4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine (PubChem CID 29273850) has the molecular formula C9H14N2OS and a molecular weight of 198.29 g/mol. Its IUPAC name is 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
PubChem CID29273850
Molecular FormulaC9H14N2OS
Molecular Weight198.29 g/mol
Exact Mass198.08
IUPAC Name4-methyl-N-[[(2R)-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-/m1/s1
InChIKeyVWLMRMKWLYRBMA-MRVPVSSYSA-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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Related Compounds

N-(4-methyl-1,3-thiazol-2-yl)-3-[(2R)-oxolan-2-yl]propanamide
CID 94175491
N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazol-2-amine
CID 114400659
5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64915572
N-(4-methyl-1,3-thiazol-2-yl)-2-(oxan-2-yl)acetamide
CID 110678002
4-(3-methyl-1-benzofuran-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 41143854
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,3-thiazol-2-amine
CID 39902652
3-[[(4-methyl-1,3-thiazol-2-yl)amino]methyl]cyclohexan-1-ol
CID 106129708
(2S)-N-(4-methyl-1,3-thiazol-2-yl)oxolane-2-carboxamide
CID 1086809
5-[(2-methyl-1,3-thiazol-5-yl)methylsulfanyl]-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 51091077
methyl 3-[2-(oxan-2-ylmethylamino)-1,3-thiazol-4-yl]propanoate
CID 107040089
6-methyl-4-N-(oxolan-2-ylmethyl)pyrimidine-2,4-diamine
CID 23993069
N-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]-N-(oxolan-2-ylmethyl)propanamide
CID 5184376

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine (CID 29273850) is 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine is Cc1csc(NC[C@H]2CCCO2)n1.
What is the InChIKey of 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine?
The InChIKey is VWLMRMKWLYRBMA-MRVPVSSYSA-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-/m1/s1.
What are the key properties of 4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine?
4-methyl-N-[[(2R)-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-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine is sourced from PubChem (CID 29273850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).