N'-[2-(1,3-thiazol-2-yl)ethyl]cyclopropanecarboximidamide

C9H13N3S — CID 63245026

IUPACN'-[2-(1,3-thiazol-2-yl)ethyl]cyclopropanecarboximidamide
SMILESN/C(=N\CCc1nccs1)C1CC1
InChIInChI=1S/C9H13N3S/c10-9(7-1-2-7)12-4-3-8-11-5-6-13-8/h5-7H,1-4H2,(H2,10,12)
InChIKeyNZCOEXCXJSKMQH-UHFFFAOYSA-N
MW195.29 g/mol
LogP1.45
Rot. Bonds4

About N'-[2-(1,3-thiazol-2-yl)ethyl]cyclopropanecarboximidamide

N'-[2-(1,3-thiazol-2-yl)ethyl]cyclopropanecarboximidamide (PubChem CID 63245026) has the molecular formula C9H13N3S and a molecular weight of 195.29 g/mol. Its IUPAC name is N'-[2-(1,3-thiazol-2-yl)ethyl]cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-[2-(1,3-thiazol-2-yl)ethyl]cyclopropanecarboximidamide
PubChem CID63245026
Molecular FormulaC9H13N3S
Molecular Weight195.29 g/mol
Exact Mass195.08
IUPAC NameN'-[2-(1,3-thiazol-2-yl)ethyl]cyclopropanecarboximidamide
SMILESN/C(=N\CCc1nccs1)C1CC1
InChIInChI=1S/C9H13N3S/c10-9(7-1-2-7)12-4-3-8-11-5-6-13-8/h5-7H,1-4H2,(H2,10,12)
InChIKeyNZCOEXCXJSKMQH-UHFFFAOYSA-N
XLogP1.45
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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'-(1,3-thiazol-2-ylmethyl)cyclohexanecarboximidamide
CID 63177246
1-cyclopropyl-4-(1,3-thiazol-2-yl)butan-1-one
CID 79824416
N'-[2-(5-chlorothiophen-2-yl)ethyl]cyclopropanecarboximidamide
CID 106043235
N'-[2-(4-chlorophenyl)ethyl]cyclopropanecarboximidamide
CID 63178180
3-(1,3-thiazol-2-yl)propanamide
CID 45121787
2-[2-(1,3-thiazol-2-ylmethylsulfanyl)ethyl]guanidine
CID 20567731
1-ethyl-3-prop-2-ynyl-2-[2-(1,3-thiazol-2-yl)ethyl]guanidine
CID 137060598
cis-(1S,3R)-3-[2-(1,3-thiazol-2-yl)ethylcarbamoyl]cyclopentane-1-carboxylic acid
CID 114092307
1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[2-(1,3-thiazol-2-yl)ethyl]guanidine
CID 119119915
2-(1,3-thiazol-2-yl)ethanol;hydrochloride
CID 173116939
1-(3-aminocyclopentyl)-2-(1,3-thiazol-2-yl)ethanone
CID 116587134
2-methyl-1-[2-(1,3-thiazol-2-yl)ethyl]guanidine
CID 62407842

Frequently Asked Questions

What is the IUPAC name of N'-[2-(1,3-thiazol-2-yl)ethyl]cyclopropanecarboximidamide?
The IUPAC name of N'-[2-(1,3-thiazol-2-yl)ethyl]cyclopropanecarboximidamide (CID 63245026) is N'-[2-(1,3-thiazol-2-yl)ethyl]cyclopropanecarboximidamide.
What is the SMILES notation for N'-[2-(1,3-thiazol-2-yl)ethyl]cyclopropanecarboximidamide?
The canonical SMILES for N'-[2-(1,3-thiazol-2-yl)ethyl]cyclopropanecarboximidamide is N/C(=N\CCc1nccs1)C1CC1.
What is the InChIKey of N'-[2-(1,3-thiazol-2-yl)ethyl]cyclopropanecarboximidamide?
The InChIKey is NZCOEXCXJSKMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3S/c10-9(7-1-2-7)12-4-3-8-11-5-6-13-8/h5-7H,1-4H2,(H2,10,12).
What are the key properties of N'-[2-(1,3-thiazol-2-yl)ethyl]cyclopropanecarboximidamide?
N'-[2-(1,3-thiazol-2-yl)ethyl]cyclopropanecarboximidamide has a molecular weight of 195.29 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(1,3-thiazol-2-yl)ethyl]cyclopropanecarboximidamide is sourced from PubChem (CID 63245026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).