4-(1,3-thiazol-2-yl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperazine-1-carboximidamide

C19H28N6S2 — CID 111084395

IUPAC4-(1,3-thiazol-2-yl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperazine-1-carboximidamide
SMILESN/C(=N\CC1CCCN(Cc2cccs2)C1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C19H28N6S2/c20-18(24-7-9-25(10-8-24)19-21-5-12-27-19)22-13-16-3-1-6-23(14-16)15-17-4-2-11-26-17/h2,4-5,11-12,16H,1,3,6-10,13-15H2,(H2,20,22)
InChIKeyGJOGBTRGMMQZPZ-UHFFFAOYSA-N
MW404.61 g/mol
LogP2.55
Rot. Bonds5

About 4-(1,3-thiazol-2-yl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperazine-1-carboximidamide

4-(1,3-thiazol-2-yl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperazine-1-carboximidamide (PubChem CID 111084395) has the molecular formula C19H28N6S2 and a molecular weight of 404.61 g/mol. Its IUPAC name is 4-(1,3-thiazol-2-yl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperazine-1-carboximidamide.

Molecular Properties

Compound Name4-(1,3-thiazol-2-yl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperazine-1-carboximidamide
PubChem CID111084395
Molecular FormulaC19H28N6S2
Molecular Weight404.61 g/mol
Exact Mass404.18
IUPAC Name4-(1,3-thiazol-2-yl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperazine-1-carboximidamide
SMILESN/C(=N\CC1CCCN(Cc2cccs2)C1)N1CCN(c2nccs2)CC1
InChIInChI=1S/C19H28N6S2/c20-18(24-7-9-25(10-8-24)19-21-5-12-27-19)22-13-16-3-1-6-23(14-16)15-17-4-2-11-26-17/h2,4-5,11-12,16H,1,3,6-10,13-15H2,(H2,20,22)
InChIKeyGJOGBTRGMMQZPZ-UHFFFAOYSA-N
XLogP2.55
TPSA60.99 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.61
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

N'-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperidine-1-carboximidamide;hydroiodide
CID 75534650
N'-[(1-ethylpiperidin-3-yl)methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide;hydroiodide
CID 111084304
4-pyrimidin-2-yl-N'-[[1-(thiophen-2-ylmethyl)piperidin-4-yl]methyl]piperazine-1-carboximidamide;hydroiodide
CID 119120543
tert-butyl 4-[N'-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]carbamimidoyl]piperazine-1-carboxylate;hydroiodide
CID 111084378
1-cyclopropyl-1-methyl-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide
CID 110030642
N'-[[1-(4-bromophenyl)pyrrolidin-3-yl]methyl]-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 111076762
1-cyclohexyl-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide
CID 111084324
N'-ethyl-4-(1,3-thiazol-2-yl)piperazine-1-carboximidamide
CID 62360283
tert-butyl 3-[[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111083010
1-propan-2-yl-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide
CID 111084344
1-(2-thiophen-2-ylethyl)-2-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]guanidine;hydroiodide
CID 111084350
1-[[3-[[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]methyl]phenyl]methyl]piperidine-3-carboxamide;hydroiodide
CID 111803846

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-thiazol-2-yl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperazine-1-carboximidamide?
The IUPAC name of 4-(1,3-thiazol-2-yl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperazine-1-carboximidamide (CID 111084395) is 4-(1,3-thiazol-2-yl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperazine-1-carboximidamide.
What is the SMILES notation for 4-(1,3-thiazol-2-yl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperazine-1-carboximidamide?
The canonical SMILES for 4-(1,3-thiazol-2-yl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperazine-1-carboximidamide is N/C(=N\CC1CCCN(Cc2cccs2)C1)N1CCN(c2nccs2)CC1.
What is the InChIKey of 4-(1,3-thiazol-2-yl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperazine-1-carboximidamide?
The InChIKey is GJOGBTRGMMQZPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6S2/c20-18(24-7-9-25(10-8-24)19-21-5-12-27-19)22-13-16-3-1-6-23(14-16)15-17-4-2-11-26-17/h2,4-5,11-12,16H,1,3,6-10,13-15H2,(H2,20,22).
What are the key properties of 4-(1,3-thiazol-2-yl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperazine-1-carboximidamide?
4-(1,3-thiazol-2-yl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperazine-1-carboximidamide has a molecular weight of 404.61 g/mol, XLogP of 2.55, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-thiazol-2-yl)-N'-[[1-(thiophen-2-ylmethyl)piperidin-3-yl]methyl]piperazine-1-carboximidamide is sourced from PubChem (CID 111084395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).