3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyridine-2-carboximidamide

C14H18N6S — CID 62895733

IUPAC3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN1CCN(c2nccs2)CC1
InChIInChI=1S/C14H18N6S/c15-13(16)12-11(2-1-3-17-12)10-19-5-7-20(8-6-19)14-18-4-9-21-14/h1-4,9H,5-8,10H2,(H3,15,16)
InChIKeyUOKPYNNNGWXXFN-UHFFFAOYSA-N
MW302.41 g/mol
LogP1.14
Rot. Bonds4

About 3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyridine-2-carboximidamide

3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyridine-2-carboximidamide (PubChem CID 62895733) has the molecular formula C14H18N6S and a molecular weight of 302.41 g/mol. Its IUPAC name is 3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyridine-2-carboximidamide.

Molecular Properties

Compound Name3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyridine-2-carboximidamide
PubChem CID62895733
Molecular FormulaC14H18N6S
Molecular Weight302.41 g/mol
Exact Mass302.13
IUPAC Name3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyridine-2-carboximidamide
SMILES[H]/N=C(\N)c1ncccc1CN1CCN(c2nccs2)CC1
InChIInChI=1S/C14H18N6S/c15-13(16)12-11(2-1-3-17-12)10-19-5-7-20(8-6-19)14-18-4-9-21-14/h1-4,9H,5-8,10H2,(H3,15,16)
InChIKeyUOKPYNNNGWXXFN-UHFFFAOYSA-N
XLogP1.14
TPSA82.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.41
LogP ≤ 51.14
H-Bond Donors ≤ 52
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

Stf-62247
CID 704473
Foropafant
CID 119368
(4-Phenyl-thiazol-2-yl)-pyridin-2-yl-amine
CID 750531
4-(Pyridin-4-yl)-1,3-thiazol-2-amine
CID 930237
N-(2-ethylphenyl)-4-(pyridin-3-yl)-1,3-thiazol-2-amine
CID 746667
(3-Methyl-pyridin-2-yl)-(4-pyridin-2-yl-thiazol-2-yl)-amine
CID 972880
Thiourea, N-(2-(2-pyridinyl)ethyl)-N'-2-thiazolyl-
CID 3001095
N-(1,3-Thiazol-2-yl)pyridin-2-amine 1
CID 5329323
5-phenyl-N-[5-(pyrrolidin-1-ylmethyl)pyridin-2-yl]-1,3-thiazol-2-amine
CID 5329324
N-(1,3-Thiazol-2-yl)pyridin-2-amine 16
CID 5329329
N-(1,3-Thiazol-2-yl)pyridin-2-amine 18
CID 5329331
Aminothiazole 7
CID 5329389

Frequently Asked Questions

What is the IUPAC name of 3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyridine-2-carboximidamide?
The IUPAC name of 3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyridine-2-carboximidamide (CID 62895733) is 3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyridine-2-carboximidamide.
What is the SMILES notation for 3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyridine-2-carboximidamide?
The canonical SMILES for 3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyridine-2-carboximidamide is [H]/N=C(\N)c1ncccc1CN1CCN(c2nccs2)CC1.
What is the InChIKey of 3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyridine-2-carboximidamide?
The InChIKey is UOKPYNNNGWXXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6S/c15-13(16)12-11(2-1-3-17-12)10-19-5-7-20(8-6-19)14-18-4-9-21-14/h1-4,9H,5-8,10H2,(H3,15,16).
What are the key properties of 3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyridine-2-carboximidamide?
3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyridine-2-carboximidamide has a molecular weight of 302.41 g/mol, XLogP of 1.14, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(1,3-thiazol-2-yl)piperazin-1-yl]methyl]pyridine-2-carboximidamide is sourced from PubChem (CID 62895733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).