2-(aminomethyl)-N-(3-anilinopropyl)-1,3-thiazole-4-carboxamide

C14H18N4OS — CID 119867801

IUPAC2-(aminomethyl)-N-(3-anilinopropyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NCCCNc2ccccc2)cs1
InChIInChI=1S/C14H18N4OS/c15-9-13-18-12(10-20-13)14(19)17-8-4-7-16-11-5-2-1-3-6-11/h1-3,5-6,10,16H,4,7-9,15H2,(H,17,19)
InChIKeyOOLZSTNEMIHOGN-UHFFFAOYSA-N
MW290.39 g/mol
LogP1.83
Rot. Bonds7

About 2-(aminomethyl)-N-(3-anilinopropyl)-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-(3-anilinopropyl)-1,3-thiazole-4-carboxamide (PubChem CID 119867801) has the molecular formula C14H18N4OS and a molecular weight of 290.39 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(3-anilinopropyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(3-anilinopropyl)-1,3-thiazole-4-carboxamide
PubChem CID119867801
Molecular FormulaC14H18N4OS
Molecular Weight290.39 g/mol
Exact Mass290.12
IUPAC Name2-(aminomethyl)-N-(3-anilinopropyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NCCCNc2ccccc2)cs1
InChIInChI=1S/C14H18N4OS/c15-9-13-18-12(10-20-13)14(19)17-8-4-7-16-11-5-2-1-3-6-11/h1-3,5-6,10,16H,4,7-9,15H2,(H,17,19)
InChIKeyOOLZSTNEMIHOGN-UHFFFAOYSA-N
XLogP1.83
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
CID 66375745
2-(aminomethyl)-N-(5-phenylpentyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119772378
2-(aminomethyl)-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 119835673
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
2-(aminomethyl)-N-[3-(N-ethylanilino)propyl]-1,3-thiazole-4-carboxamide
CID 119835722
2-(aminomethyl)-N-[3-[(5-methyl-2-pyridinyl)amino]propyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119888059
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide
CID 110465250
N-(3-aminopropyl)-2-benzyl-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119405606
2-(aminomethyl)-N-[3-(4-fluorophenyl)sulfanylpropyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119683965
2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119763190
2-(aminomethyl)-N-(pyridin-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 66377414
2-(aminomethyl)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119675579

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(3-anilinopropyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(3-anilinopropyl)-1,3-thiazole-4-carboxamide (CID 119867801) is 2-(aminomethyl)-N-(3-anilinopropyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(3-anilinopropyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(3-anilinopropyl)-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)NCCCNc2ccccc2)cs1.
What is the InChIKey of 2-(aminomethyl)-N-(3-anilinopropyl)-1,3-thiazole-4-carboxamide?
The InChIKey is OOLZSTNEMIHOGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4OS/c15-9-13-18-12(10-20-13)14(19)17-8-4-7-16-11-5-2-1-3-6-11/h1-3,5-6,10,16H,4,7-9,15H2,(H,17,19).
What are the key properties of 2-(aminomethyl)-N-(3-anilinopropyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(3-anilinopropyl)-1,3-thiazole-4-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 1.83, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(3-anilinopropyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 119867801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).