2-propyl-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]-1,3-thiazole-5-carboxamide

C18H26N4O2S — CID 136582764

IUPAC2-propyl-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCCCc1ncc(C(=O)NC[C@@H]2CCO[C@H]2c2c(C)nn(C)c2C)s1
InChIInChI=1S/C18H26N4O2S/c1-5-6-15-19-10-14(25-15)18(23)20-9-13-7-8-24-17(13)16-11(2)21-22(4)12(16)3/h10,13,17H,5-9H2,1-4H3,(H,20,23)/t13-,17+/m0/s1
InChIKeyFEGACJUZSOAXAM-SUMWQHHRSA-N
MW362.50 g/mol
LogP2.95
Rot. Bonds6

About 2-propyl-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]-1,3-thiazole-5-carboxamide

2-propyl-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]-1,3-thiazole-5-carboxamide (PubChem CID 136582764) has the molecular formula C18H26N4O2S and a molecular weight of 362.50 g/mol. Its IUPAC name is 2-propyl-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-propyl-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]-1,3-thiazole-5-carboxamide
PubChem CID136582764
Molecular FormulaC18H26N4O2S
Molecular Weight362.50 g/mol
Exact Mass362.18
IUPAC Name2-propyl-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]-1,3-thiazole-5-carboxamide
SMILESCCCc1ncc(C(=O)NC[C@@H]2CCO[C@H]2c2c(C)nn(C)c2C)s1
InChIInChI=1S/C18H26N4O2S/c1-5-6-15-19-10-14(25-15)18(23)20-9-13-7-8-24-17(13)16-11(2)21-22(4)12(16)3/h10,13,17H,5-9H2,1-4H3,(H,20,23)/t13-,17+/m0/s1
InChIKeyFEGACJUZSOAXAM-SUMWQHHRSA-N
XLogP2.95
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.50
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-propyl-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-propyl-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]-1,3-thiazole-5-carboxamide (CID 136582764) is 2-propyl-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-propyl-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-propyl-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]-1,3-thiazole-5-carboxamide is CCCc1ncc(C(=O)NC[C@@H]2CCO[C@H]2c2c(C)nn(C)c2C)s1.
What is the InChIKey of 2-propyl-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is FEGACJUZSOAXAM-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H26N4O2S/c1-5-6-15-19-10-14(25-15)18(23)20-9-13-7-8-24-17(13)16-11(2)21-22(4)12(16)3/h10,13,17H,5-9H2,1-4H3,(H,20,23)/t13-,17+/m0/s1.
What are the key properties of 2-propyl-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]-1,3-thiazole-5-carboxamide?
2-propyl-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 362.50 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propyl-N-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 136582764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).