1-[4-[3-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-methoxyethyl)guanidine

C14H19N5OS — CID 19439669

IUPAC1-[4-[3-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-methoxyethyl)guanidine
SMILESCOCC/N=C(\N)Nc1nc(-c2cccc(CN)c2)cs1
InChIInChI=1S/C14H19N5OS/c1-20-6-5-17-13(16)19-14-18-12(9-21-14)11-4-2-3-10(7-11)8-15/h2-4,7,9H,5-6,8,15H2,1H3,(H3,16,17,18,19)
InChIKeyHIYKNABHZWKGPW-UHFFFAOYSA-N
MW305.41 g/mol
LogP1.64
Rot. Bonds6

About 1-[4-[3-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-methoxyethyl)guanidine

1-[4-[3-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-methoxyethyl)guanidine (PubChem CID 19439669) has the molecular formula C14H19N5OS and a molecular weight of 305.41 g/mol. Its IUPAC name is 1-[4-[3-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-methoxyethyl)guanidine.

Molecular Properties

Compound Name1-[4-[3-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-methoxyethyl)guanidine
PubChem CID19439669
Molecular FormulaC14H19N5OS
Molecular Weight305.41 g/mol
Exact Mass305.13
IUPAC Name1-[4-[3-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-methoxyethyl)guanidine
SMILESCOCC/N=C(\N)Nc1nc(-c2cccc(CN)c2)cs1
InChIInChI=1S/C14H19N5OS/c1-20-6-5-17-13(16)19-14-18-12(9-21-14)11-4-2-3-10(7-11)8-15/h2-4,7,9H,5-6,8,15H2,1H3,(H3,16,17,18,19)
InChIKeyHIYKNABHZWKGPW-UHFFFAOYSA-N
XLogP1.64
TPSA98.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.41
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[[3-[2-[[N'-(2-phenoxyethyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 10811489
N-[[6-[2-[[N'-(3-methoxypropyl)carbamimidoyl]amino]-1,3-thiazol-4-yl]-2-pyridinyl]methyl]acetamide
CID 67870196
[3-[2-[2-(2-methoxyethoxy)ethyl]-1,3-thiazol-4-yl]phenyl]methanamine
CID 102929160
N-[2-[[4-[3-[3-(aminomethyl)phenyl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 155037500
[3-[2-(2-methoxyphenyl)-1,3-thiazol-4-yl]phenyl]methanamine
CID 63152203
3-(aminomethyl)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]benzamide
CID 119044872
N-[[5-[2-[[N'-[2-(2-methoxyethoxy)ethyl]carbamimidoyl]amino]-1,3-thiazol-4-yl]furan-2-yl]methyl]acetamide
CID 54534077
1-(3-ethylphenyl)-2-(3-methoxypropyl)guanidine
CID 111023612
2-(aminomethyl)-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]benzamide
CID 110452105
1-[4-[5-(aminomethyl)furan-2-yl]-1,3-thiazol-2-yl]-2-[2-(2-methoxyphenyl)ethyl]guanidine;dihydrochloride
CID 139729799
N-[2-[[4-[3-[3-(aminomethyl)phenyl]phenyl]-1,3-thiazol-2-yl]amino]-2-cyclopropylideneethyl]-1-methylpyrrole-3-carboxamide
CID 154667700
1-[4-[4-(diethylamino)phenyl]-1,3-thiazol-2-yl]-2-[(2,6-dimethoxyphenyl)methyl]guanidine
CID 87381012

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-methoxyethyl)guanidine?
The IUPAC name of 1-[4-[3-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-methoxyethyl)guanidine (CID 19439669) is 1-[4-[3-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-methoxyethyl)guanidine.
What is the SMILES notation for 1-[4-[3-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-methoxyethyl)guanidine?
The canonical SMILES for 1-[4-[3-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-methoxyethyl)guanidine is COCC/N=C(\N)Nc1nc(-c2cccc(CN)c2)cs1.
What is the InChIKey of 1-[4-[3-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-methoxyethyl)guanidine?
The InChIKey is HIYKNABHZWKGPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5OS/c1-20-6-5-17-13(16)19-14-18-12(9-21-14)11-4-2-3-10(7-11)8-15/h2-4,7,9H,5-6,8,15H2,1H3,(H3,16,17,18,19).
What are the key properties of 1-[4-[3-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-methoxyethyl)guanidine?
1-[4-[3-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-methoxyethyl)guanidine has a molecular weight of 305.41 g/mol, XLogP of 1.64, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-(aminomethyl)phenyl]-1,3-thiazol-2-yl]-2-(2-methoxyethyl)guanidine is sourced from PubChem (CID 19439669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).