N-[(1R)-2-hydroxy-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide

C13H18N4O2S — CID 164629565

IUPACN-[(1R)-2-hydroxy-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide
SMILESCC(C)c1nc([C@H](CO)NC(=O)c2ccn(C)n2)cs1
InChIInChI=1S/C13H18N4O2S/c1-8(2)13-15-11(7-20-13)10(6-18)14-12(19)9-4-5-17(3)16-9/h4-5,7-8,10,18H,6H2,1-3H3,(H,14,19)/t10-/m0/s1
InChIKeyPGNYLNNASKJMJH-JTQLQIEISA-N
MW294.38 g/mol
LogP1.46
Rot. Bonds5

About N-[(1R)-2-hydroxy-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide

N-[(1R)-2-hydroxy-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide (PubChem CID 164629565) has the molecular formula C13H18N4O2S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-[(1R)-2-hydroxy-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-2-hydroxy-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide
PubChem CID164629565
Molecular FormulaC13H18N4O2S
Molecular Weight294.38 g/mol
Exact Mass294.12
IUPAC NameN-[(1R)-2-hydroxy-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide
SMILESCC(C)c1nc([C@H](CO)NC(=O)c2ccn(C)n2)cs1
InChIInChI=1S/C13H18N4O2S/c1-8(2)13-15-11(7-20-13)10(6-18)14-12(19)9-4-5-17(3)16-9/h4-5,7-8,10,18H,6H2,1-3H3,(H,14,19)/t10-/m0/s1
InChIKeyPGNYLNNASKJMJH-JTQLQIEISA-N
XLogP1.46
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-2-hydroxy-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-[(1R)-2-hydroxy-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide (CID 164629565) is N-[(1R)-2-hydroxy-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-2-hydroxy-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[(1R)-2-hydroxy-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide is CC(C)c1nc([C@H](CO)NC(=O)c2ccn(C)n2)cs1.
What is the InChIKey of N-[(1R)-2-hydroxy-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide?
The InChIKey is PGNYLNNASKJMJH-JTQLQIEISA-N. The full InChI is InChI=1S/C13H18N4O2S/c1-8(2)13-15-11(7-20-13)10(6-18)14-12(19)9-4-5-17(3)16-9/h4-5,7-8,10,18H,6H2,1-3H3,(H,14,19)/t10-/m0/s1.
What are the key properties of N-[(1R)-2-hydroxy-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide?
N-[(1R)-2-hydroxy-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide has a molecular weight of 294.38 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-2-hydroxy-1-(2-propan-2-yl-1,3-thiazol-4-yl)ethyl]-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 164629565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).