4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,3-thiazol-2-amine

C15H18N2OS — CID 39902652

IUPAC4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,3-thiazol-2-amine
SMILESCc1nc(NC[C@@H]2CCCO2)sc1-c1ccccc1
InChIInChI=1S/C15H18N2OS/c1-11-14(12-6-3-2-4-7-12)19-15(17-11)16-10-13-8-5-9-18-13/h2-4,6-7,13H,5,8-10H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyNBQYWEYNWCHHRF-ZDUSSCGKSA-N
MW274.39 g/mol
LogP3.71
Rot. Bonds4

About 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,3-thiazol-2-amine

4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,3-thiazol-2-amine (PubChem CID 39902652) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Name4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,3-thiazol-2-amine
PubChem CID39902652
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,3-thiazol-2-amine
SMILESCc1nc(NC[C@@H]2CCCO2)sc1-c1ccccc1
InChIInChI=1S/C15H18N2OS/c1-11-14(12-6-3-2-4-7-12)19-15(17-11)16-10-13-8-5-9-18-13/h2-4,6-7,13H,5,8-10H2,1H3,(H,16,17)/t13-/m0/s1
InChIKeyNBQYWEYNWCHHRF-ZDUSSCGKSA-N
XLogP3.71
TPSA34.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 29273850
4-methyl-N-(oxan-2-ylmethyl)-1,3-benzothiazol-2-amine
CID 79146165
5-methyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 64915572
4-methyl-N-[[(2R)-oxolan-2-yl]methyl]-2-(2-phenylethylamino)-1,3-thiazole-5-carboxamide
CID 95394528
2-methyl-N-[[(2R)-oxolan-2-yl]methyl]aniline
CID 28585976
2-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenylthieno[2,3-d]pyrimidin-4-amine
CID 9211978
4-methyl-N-(oxolan-2-ylmethyl)-5-phenylthiophene-2-carboxamide
CID 17174245
6-N-[(2-methylphenyl)methyl]-4-N-(oxolan-2-ylmethyl)-2-phenylpyrimidine-4,6-diamine
CID 112880613
5-[(2-methylphenyl)methylsulfanyl]-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 46670484
5-(5,6-dimethyl-2-pyridin-3-ylpyrimidin-4-yl)sulfanyl-N-(oxolan-2-ylmethyl)-1,3,4-thiadiazol-2-amine
CID 133345595
4-[4-(difluoromethoxy)phenyl]-5-methyl-N-[[(2S)-oxolan-2-yl]methyl]-1,3-thiazol-2-amine
CID 2469781
2-N-(3,4-dimethylphenyl)-4-N-(oxolan-2-ylmethyl)-6-phenylpyrimidine-2,4-diamine
CID 112935650

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,3-thiazol-2-amine?
The IUPAC name of 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,3-thiazol-2-amine (CID 39902652) is 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,3-thiazol-2-amine.
What is the SMILES notation for 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,3-thiazol-2-amine?
The canonical SMILES for 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,3-thiazol-2-amine is Cc1nc(NC[C@@H]2CCCO2)sc1-c1ccccc1.
What is the InChIKey of 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,3-thiazol-2-amine?
The InChIKey is NBQYWEYNWCHHRF-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-11-14(12-6-3-2-4-7-12)19-15(17-11)16-10-13-8-5-9-18-13/h2-4,6-7,13H,5,8-10H2,1H3,(H,16,17)/t13-/m0/s1.
What are the key properties of 4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,3-thiazol-2-amine?
4-methyl-N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,3-thiazol-2-amine has a molecular weight of 274.39 g/mol, XLogP of 3.71, 4 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]-5-phenyl-1,3-thiazol-2-amine is sourced from PubChem (CID 39902652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).