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

C13H19N7OS — CID 51084713

IUPACN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H19N7OS/c1-2-18-10-16-17-11(18)9-15-12(21)19-4-6-20(7-5-19)13-14-3-8-22-13/h3,8,10H,2,4-7,9H2,1H3,(H,15,21)
InChIKeyVBCDDMMVIIPGRR-UHFFFAOYSA-N
MW321.41 g/mol
LogP0.79
Rot. Bonds4

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

N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (PubChem CID 51084713) has the molecular formula C13H19N7OS and a molecular weight of 321.41 g/mol. Its IUPAC name is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
PubChem CID51084713
Molecular FormulaC13H19N7OS
Molecular Weight321.41 g/mol
Exact Mass321.14
IUPAC NameN-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
SMILESCCn1cnnc1CNC(=O)N1CCN(c2nccs2)CC1
InChIInChI=1S/C13H19N7OS/c1-2-18-10-16-17-11(18)9-15-12(21)19-4-6-20(7-5-19)13-14-3-8-22-13/h3,8,10H,2,4-7,9H2,1H3,(H,15,21)
InChIKeyVBCDDMMVIIPGRR-UHFFFAOYSA-N
XLogP0.79
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.41
LogP ≤ 50.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

1-N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]piperidine-1,4-dicarboxamide
CID 154774046
ethyl 2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]acetate
CID 43445563
N-[[2-(propan-2-yloxymethyl)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 51113317
(2S)-2-[[4-(1,3-thiazol-2-yl)piperazine-1-carbonyl]amino]pentanoic acid
CID 107565977
N-[(2,4-dichlorophenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 134042609
N-[[2-(difluoromethoxy)phenyl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 30311436
2-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]-N-ethylacetamide;hydroiodide
CID 111032115
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 51084737
1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]butan-1-one
CID 158048076
N-[(2-imidazol-1-ylphenyl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide
CID 60580723
N-[(1-ethylpiperidin-2-yl)methyl]-4-(1,3-thiazol-2-yl)-1,4-diazepane-1-carboxamide
CID 126787790
2-(propan-2-ylamino)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]ethanone
CID 60841085

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide (CID 51084713) is N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is CCn1cnnc1CNC(=O)N1CCN(c2nccs2)CC1.
What is the InChIKey of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
The InChIKey is VBCDDMMVIIPGRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N7OS/c1-2-18-10-16-17-11(18)9-15-12(21)19-4-6-20(7-5-19)13-14-3-8-22-13/h3,8,10H,2,4-7,9H2,1H3,(H,15,21).
What are the key properties of N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide?
N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide has a molecular weight of 321.41 g/mol, XLogP of 0.79, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethyl-1,2,4-triazol-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 51084713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).