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

C14H22N4O2S — CID 129368211

IUPACN-[[(3S)-oxan-3-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(NC[C@@H]1CCCOC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H22N4O2S/c19-13(16-10-12-2-1-8-20-11-12)17-4-6-18(7-5-17)14-15-3-9-21-14/h3,9,12H,1-2,4-8,10-11H2,(H,16,19)/t12-/m0/s1
InChIKeyBZBKRUXASYLPFQ-LBPRGKRZSA-N
MW310.42 g/mol
LogP1.40
Rot. Bonds3

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

N-[[(3S)-oxan-3-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 129368211) has the molecular formula C14H22N4O2S and a molecular weight of 310.42 g/mol. Its IUPAC name is N-[[(3S)-oxan-3-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[(3S)-oxan-3-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID129368211
Molecular FormulaC14H22N4O2S
Molecular Weight310.42 g/mol
Exact Mass310.15
IUPAC NameN-[[(3S)-oxan-3-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESO=C(NC[C@@H]1CCCOC1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C14H22N4O2S/c19-13(16-10-12-2-1-8-20-11-12)17-4-6-18(7-5-17)14-15-3-9-21-14/h3,9,12H,1-2,4-8,10-11H2,(H,16,19)/t12-/m0/s1
InChIKeyBZBKRUXASYLPFQ-LBPRGKRZSA-N
XLogP1.40
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(3S)-oxolan-3-yl]methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 94124309
N-[(1-ethylpiperidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 126787790
[(2S)-oxolan-2-yl]-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 95129829
ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate
CID 43445563
cyclopropyl-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methanone
CID 53498835
N-[[(3S)-oxolan-3-yl]methyl]-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carboxamide
CID 94124241
N-(oxan-4-ylmethyl)-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108912953
N-[4-[[(2R)-oxolan-2-yl]methoxy]phenyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 94148337
morpholin-3-yl-[4-(1,3-thiazol-2-yl)-1,4-diazepan-1-yl]methanone
CID 119863934
1-cyclohexyl-3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]propyl]urea
CID 18152913
N-[(1S,8aR)-1,2,3,5,6,7,8,8a-octahydroindolizin-1-yl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 94031670
(3S)-3-methyl-4-methylsulfonyl-N-(oxan-3-ylmethyl)piperazine-1-carboxamide
CID 127750304

Frequently Asked Questions

What is the IUPAC name of N-[[(3S)-oxan-3-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-[[(3S)-oxan-3-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 129368211) is N-[[(3S)-oxan-3-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[[(3S)-oxan-3-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[[(3S)-oxan-3-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is O=C(NC[C@@H]1CCCOC1)N1CCN(c2nccs2)CC1.
What is the InChIKey of N-[[(3S)-oxan-3-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is BZBKRUXASYLPFQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C14H22N4O2S/c19-13(16-10-12-2-1-8-20-11-12)17-4-6-18(7-5-17)14-15-3-9-21-14/h3,9,12H,1-2,4-8,10-11H2,(H,16,19)/t12-/m0/s1.
What are the key properties of N-[[(3S)-oxan-3-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
N-[[(3S)-oxan-3-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 310.42 g/mol, XLogP of 1.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(3S)-oxan-3-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 129368211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).