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

C18H20N4OS — CID 164630004

IUPAC(2S,3S)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-2-(1H-pyrazol-5-yl)oxolan-3-amine
SMILESCc1ncsc1-c1ccc(CN[C@H]2CCO[C@@H]2c2ccn[nH]2)cc1
InChIInChI=1S/C18H20N4OS/c1-12-18(24-11-20-12)14-4-2-13(3-5-14)10-19-15-7-9-23-17(15)16-6-8-21-22-16/h2-6,8,11,15,17,19H,7,9-10H2,1H3,(H,21,22)/t15-,17-/m0/s1
InChIKeySJQRIMYIHMLOIB-RDJZCZTQSA-N
MW340.45 g/mol
LogP3.46
Rot. Bonds5

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

(2S,3S)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-2-(1H-pyrazol-5-yl)oxolan-3-amine (PubChem CID 164630004) has the molecular formula C18H20N4OS and a molecular weight of 340.45 g/mol. Its IUPAC name is (2S,3S)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-2-(1H-pyrazol-5-yl)oxolan-3-amine.

Molecular Properties

Compound Name(2S,3S)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-2-(1H-pyrazol-5-yl)oxolan-3-amine
PubChem CID164630004
Molecular FormulaC18H20N4OS
Molecular Weight340.45 g/mol
Exact Mass340.14
IUPAC Name(2S,3S)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-2-(1H-pyrazol-5-yl)oxolan-3-amine
SMILESCc1ncsc1-c1ccc(CN[C@H]2CCO[C@@H]2c2ccn[nH]2)cc1
InChIInChI=1S/C18H20N4OS/c1-12-18(24-11-20-12)14-4-2-13(3-5-14)10-19-15-7-9-23-17(15)16-6-8-21-22-16/h2-6,8,11,15,17,19H,7,9-10H2,1H3,(H,21,22)/t15-,17-/m0/s1
InChIKeySJQRIMYIHMLOIB-RDJZCZTQSA-N
XLogP3.46
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-2-(1H-pyrazol-5-yl)oxolan-3-amine?
The IUPAC name of (2S,3S)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-2-(1H-pyrazol-5-yl)oxolan-3-amine (CID 164630004) is (2S,3S)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-2-(1H-pyrazol-5-yl)oxolan-3-amine.
What is the SMILES notation for (2S,3S)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-2-(1H-pyrazol-5-yl)oxolan-3-amine?
The canonical SMILES for (2S,3S)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-2-(1H-pyrazol-5-yl)oxolan-3-amine is Cc1ncsc1-c1ccc(CN[C@H]2CCO[C@@H]2c2ccn[nH]2)cc1.
What is the InChIKey of (2S,3S)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-2-(1H-pyrazol-5-yl)oxolan-3-amine?
The InChIKey is SJQRIMYIHMLOIB-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H20N4OS/c1-12-18(24-11-20-12)14-4-2-13(3-5-14)10-19-15-7-9-23-17(15)16-6-8-21-22-16/h2-6,8,11,15,17,19H,7,9-10H2,1H3,(H,21,22)/t15-,17-/m0/s1.
What are the key properties of (2S,3S)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-2-(1H-pyrazol-5-yl)oxolan-3-amine?
(2S,3S)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-2-(1H-pyrazol-5-yl)oxolan-3-amine has a molecular weight of 340.45 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[[4-(4-methyl-1,3-thiazol-5-yl)phenyl]methyl]-2-(1H-pyrazol-5-yl)oxolan-3-amine is sourced from PubChem (CID 164630004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).