N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide

C12H14N4O2S — CID 129006232

IUPACN-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
SMILESCn1cc([C@H]2OCC[C@@H]2NC(=O)c2cscn2)cn1
InChIInChI=1S/C12H14N4O2S/c1-16-5-8(4-14-16)11-9(2-3-18-11)15-12(17)10-6-19-7-13-10/h4-7,9,11H,2-3H2,1H3,(H,15,17)/t9-,11+/m0/s1
InChIKeyRKNJESYAOVYALB-GXSJLCMTSA-N
MW278.34 g/mol
LogP1.14
Rot. Bonds3

About N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide

N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 129006232) has the molecular formula C12H14N4O2S and a molecular weight of 278.34 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
PubChem CID129006232
Molecular FormulaC12H14N4O2S
Molecular Weight278.34 g/mol
Exact Mass278.08
IUPAC NameN-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide
SMILESCn1cc([C@H]2OCC[C@@H]2NC(=O)c2cscn2)cn1
InChIInChI=1S/C12H14N4O2S/c1-16-5-8(4-14-16)11-9(2-3-18-11)15-12(17)10-6-19-7-13-10/h4-7,9,11H,2-3H2,1H3,(H,15,17)/t9-,11+/m0/s1
InChIKeyRKNJESYAOVYALB-GXSJLCMTSA-N
XLogP1.14
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.34
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide (CID 129006232) is N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide is Cn1cc([C@H]2OCC[C@@H]2NC(=O)c2cscn2)cn1.
What is the InChIKey of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide?
The InChIKey is RKNJESYAOVYALB-GXSJLCMTSA-N. The full InChI is InChI=1S/C12H14N4O2S/c1-16-5-8(4-14-16)11-9(2-3-18-11)15-12(17)10-6-19-7-13-10/h4-7,9,11H,2-3H2,1H3,(H,15,17)/t9-,11+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide?
N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 278.34 g/mol, XLogP of 1.14, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1-methylpyrazol-4-yl)oxolan-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 129006232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).