2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide

C10H17N5O2S — CID 83109262

IUPAC2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)c1csc(CN)n1
InChIInChI=1S/C10H17N5O2S/c1-15(2)10(17)13-4-3-12-9(16)7-6-18-8(5-11)14-7/h6H,3-5,11H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyYVQHJLLFQPBLHM-UHFFFAOYSA-N
MW271.35 g/mol
LogP-0.40
Rot. Bonds5

About 2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide

2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 83109262) has the molecular formula C10H17N5O2S and a molecular weight of 271.35 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID83109262
Molecular FormulaC10H17N5O2S
Molecular Weight271.35 g/mol
Exact Mass271.11
IUPAC Name2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide
SMILESCN(C)C(=O)NCCNC(=O)c1csc(CN)n1
InChIInChI=1S/C10H17N5O2S/c1-15(2)10(17)13-4-3-12-9(16)7-6-18-8(5-11)14-7/h6H,3-5,11H2,1-2H3,(H,12,16)(H,13,17)
InChIKeyYVQHJLLFQPBLHM-UHFFFAOYSA-N
XLogP-0.40
TPSA100.35 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.35
LogP ≤ 5-0.40
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-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
CID 66375745
2-(aminomethyl)-N-[2-(2,2-dimethylpropanoylamino)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 119763190
2-(aminomethyl)-N-[2-(2-methoxyethoxy)ethyl]-1,3-thiazole-4-carboxamide
CID 66377889
2-(aminomethyl)-N-[3-[benzyl(methyl)amino]propyl]-1,3-thiazole-4-carboxamide
CID 119835673
2-(aminomethyl)-N-(3-butoxypropyl)-1,3-thiazole-4-carboxamide
CID 113265997
2-(aminomethyl)-N-[4-(dimethylcarbamoyl)phenyl]-1,3-thiazole-4-carboxamide
CID 66377436
2-(aminomethyl)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119675579
2-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119687938
2-(aminomethyl)-N-[3-[benzyl(methyl)amino]butyl]-1,3-thiazole-4-carboxamide;dihydrochloride
CID 119899248
2-(aminomethyl)-N-[2-[cyclopropyl(ethyl)amino]ethyl]-1,3-thiazole-4-carboxamide
CID 103814336
2-(aminomethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66380048

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide (CID 83109262) is 2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide is CN(C)C(=O)NCCNC(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is YVQHJLLFQPBLHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2S/c1-15(2)10(17)13-4-3-12-9(16)7-6-18-8(5-11)14-7/h6H,3-5,11H2,1-2H3,(H,12,16)(H,13,17).
What are the key properties of 2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 271.35 g/mol, XLogP of -0.40, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 83109262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).