N-[(2R)-1-methoxypropan-2-yl]-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

C13H22N4O2S — CID 94029950

IUPACN-[(2R)-1-methoxypropan-2-yl]-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCOC[C@@H](C)NC(=O)N1CCN(c2nc(C)cs2)CC1
InChIInChI=1S/C13H22N4O2S/c1-10(8-19-3)14-12(18)16-4-6-17(7-5-16)13-15-11(2)9-20-13/h9-10H,4-8H2,1-3H3,(H,14,18)/t10-/m1/s1
InChIKeyLDOAEBKATNEOGP-SNVBAGLBSA-N
MW298.41 g/mol
LogP1.32
Rot. Bonds4

About N-[(2R)-1-methoxypropan-2-yl]-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide

N-[(2R)-1-methoxypropan-2-yl]-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 94029950) has the molecular formula C13H22N4O2S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-[(2R)-1-methoxypropan-2-yl]-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-methoxypropan-2-yl]-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID94029950
Molecular FormulaC13H22N4O2S
Molecular Weight298.41 g/mol
Exact Mass298.15
IUPAC NameN-[(2R)-1-methoxypropan-2-yl]-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCOC[C@@H](C)NC(=O)N1CCN(c2nc(C)cs2)CC1
InChIInChI=1S/C13H22N4O2S/c1-10(8-19-3)14-12(18)16-4-6-17(7-5-16)13-15-11(2)9-20-13/h9-10H,4-8H2,1-3H3,(H,14,18)/t10-/m1/s1
InChIKeyLDOAEBKATNEOGP-SNVBAGLBSA-N
XLogP1.32
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-[(2R)-1-methoxypropan-2-yl]-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 94029950) is N-[(2R)-1-methoxypropan-2-yl]-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(2R)-1-methoxypropan-2-yl]-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[(2R)-1-methoxypropan-2-yl]-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is COC[C@@H](C)NC(=O)N1CCN(c2nc(C)cs2)CC1.
What is the InChIKey of N-[(2R)-1-methoxypropan-2-yl]-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is LDOAEBKATNEOGP-SNVBAGLBSA-N. The full InChI is InChI=1S/C13H22N4O2S/c1-10(8-19-3)14-12(18)16-4-6-17(7-5-16)13-15-11(2)9-20-13/h9-10H,4-8H2,1-3H3,(H,14,18)/t10-/m1/s1.
What are the key properties of N-[(2R)-1-methoxypropan-2-yl]-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide?
N-[(2R)-1-methoxypropan-2-yl]-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 298.41 g/mol, XLogP of 1.32, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-methoxypropan-2-yl]-4-(4-methyl-1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 94029950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).