N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopropanecarboximidamide

C10H15N3S — CID 106043191

IUPACN'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopropanecarboximidamide
SMILESCc1nc(CC/N=C(\N)C2CC2)cs1
InChIInChI=1S/C10H15N3S/c1-7-13-9(6-14-7)4-5-12-10(11)8-2-3-8/h6,8H,2-5H2,1H3,(H2,11,12)
InChIKeyGQQRXELWGFRXDF-UHFFFAOYSA-N
MW209.32 g/mol
LogP1.76
Rot. Bonds4

About N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopropanecarboximidamide

N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopropanecarboximidamide (PubChem CID 106043191) has the molecular formula C10H15N3S and a molecular weight of 209.32 g/mol. Its IUPAC name is N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopropanecarboximidamide.

Molecular Properties

Compound NameN'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopropanecarboximidamide
PubChem CID106043191
Molecular FormulaC10H15N3S
Molecular Weight209.32 g/mol
Exact Mass209.10
IUPAC NameN'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopropanecarboximidamide
SMILESCc1nc(CC/N=C(\N)C2CC2)cs1
InChIInChI=1S/C10H15N3S/c1-7-13-9(6-14-7)4-5-12-10(11)8-2-3-8/h6,8H,2-5H2,1H3,(H2,11,12)
InChIKeyGQQRXELWGFRXDF-UHFFFAOYSA-N
XLogP1.76
TPSA51.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.32
LogP ≤ 51.76
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'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]butanimidamide
CID 106043202
1-cyclopropyl-3-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 110989379
2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-phenylguanidine
CID 103635624
tert-butyl 4-[N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]carbamimidoyl]piperazine-1-carboxylate
CID 111041335
1-(2-methoxyphenyl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111041271
1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(1-propan-2-ylpiperidin-4-yl)guanidine
CID 111317118
4-[2-(2-methyl-1,3-thiazol-4-yl)ethylcarbamoyl]cyclohexane-1-carboxylic acid
CID 106041455
N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-N-phenylpiperidine-1-carboximidamide
CID 111041325
1-ethyl-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(2-propylcyclopropyl)guanidine
CID 111713790
1-ethyl-3-(3-methylbutan-2-yl)-2-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]guanidine
CID 111002765
2-(2-methyl-1,3-thiazol-4-yl)ethanesulfinic acid
CID 68999544
N'-hydroxy-2-(2-methyl-1,3-thiazol-4-yl)ethanimidamide
CID 57374618

Frequently Asked Questions

What is the IUPAC name of N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopropanecarboximidamide?
The IUPAC name of N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopropanecarboximidamide (CID 106043191) is N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopropanecarboximidamide.
What is the SMILES notation for N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopropanecarboximidamide?
The canonical SMILES for N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopropanecarboximidamide is Cc1nc(CC/N=C(\N)C2CC2)cs1.
What is the InChIKey of N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopropanecarboximidamide?
The InChIKey is GQQRXELWGFRXDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3S/c1-7-13-9(6-14-7)4-5-12-10(11)8-2-3-8/h6,8H,2-5H2,1H3,(H2,11,12).
What are the key properties of N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopropanecarboximidamide?
N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopropanecarboximidamide has a molecular weight of 209.32 g/mol, XLogP of 1.76, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]cyclopropanecarboximidamide is sourced from PubChem (CID 106043191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).