N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

C19H26N4O2S — CID 51113317

IUPACN-[[2-(propan-2-yloxymethyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCC(C)OCc1ccccc1CNC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C19H26N4O2S/c1-15(2)25-14-17-6-4-3-5-16(17)13-21-18(24)22-8-10-23(11-9-22)19-20-7-12-26-19/h3-7,12,15H,8-11,13-14H2,1-2H3,(H,21,24)
InChIKeyVUMMFZSUZBJIPI-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.10
Rot. Bonds6

About N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide

N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 51113317) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[[2-(propan-2-yloxymethyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID51113317
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-[[2-(propan-2-yloxymethyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCC(C)OCc1ccccc1CNC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C19H26N4O2S/c1-15(2)25-14-17-6-4-3-5-16(17)13-21-18(24)22-8-10-23(11-9-22)19-20-7-12-26-19/h3-7,12,15H,8-11,13-14H2,1-2H3,(H,21,24)
InChIKeyVUMMFZSUZBJIPI-UHFFFAOYSA-N
XLogP3.10
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(difluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 30311436
N-[(2-imidazol-1-ylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 60580723
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 134042609
N-(2-phenylpropyl)-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 48508752
ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate
CID 43445563
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 51084713
2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60841085
N-[3-methyl-1-oxo-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-2-yl]benzamide
CID 42932037
N-(1-pyrazol-1-ylpropan-2-yl)-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 51084477
2-ethoxy-N-[2-oxo-2-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethyl]benzamide
CID 18138965
4-pyridin-2-yl-N-(1,3-thiazol-2-ylmethyl)piperazine-1-carboxamide
CID 138994397
N-[(2-methylphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 108897251

Frequently Asked Questions

What is the IUPAC name of N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 51113317) is N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is CC(C)OCc1ccccc1CNC(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is VUMMFZSUZBJIPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-15(2)25-14-17-6-4-3-5-16(17)13-21-18(24)22-8-10-23(11-9-22)19-20-7-12-26-19/h3-7,12,15H,8-11,13-14H2,1-2H3,(H,21,24).
What are the key properties of N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 374.51 g/mol, XLogP of 3.10, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 51113317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).