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

C11H15N5OS — CID 103006505

IUPAC2-(aminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCn1nccc1CCNC(=O)c1csc(CN)n1
InChIInChI=1S/C11H15N5OS/c1-16-8(3-5-14-16)2-4-13-11(17)9-7-18-10(6-12)15-9/h3,5,7H,2,4,6,12H2,1H3,(H,13,17)
InChIKeyMTNQFHQYIXTYMK-UHFFFAOYSA-N
MW265.34 g/mol
LogP0.31
Rot. Bonds5

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

2-(aminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide (PubChem CID 103006505) has the molecular formula C11H15N5OS and a molecular weight of 265.34 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
PubChem CID103006505
Molecular FormulaC11H15N5OS
Molecular Weight265.34 g/mol
Exact Mass265.10
IUPAC Name2-(aminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
SMILESCn1nccc1CCNC(=O)c1csc(CN)n1
InChIInChI=1S/C11H15N5OS/c1-16-8(3-5-14-16)2-4-13-11(17)9-7-18-10(6-12)15-9/h3,5,7H,2,4,6,12H2,1H3,(H,13,17)
InChIKeyMTNQFHQYIXTYMK-UHFFFAOYSA-N
XLogP0.31
TPSA85.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.34
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-(aminomethyl)-N-(2-methylpyrazol-3-yl)-1,3-thiazole-4-carboxamide
CID 66377879
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
CID 66375870
2-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119687938
2-(aminomethyl)-N-[2-(4-methylpyrazol-1-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 114130714
2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
CID 66375745
2-(aminomethyl)-N-(2-imidazol-1-ylethyl)-1,3-thiazole-4-carboxamide
CID 66376914
5-bromo-N-[2-(2-methylpyrazol-3-yl)ethyl]thiophene-3-carboxamide
CID 104693664
2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 83109262
6-chloro-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridazine-3-carboxamide
CID 103005660
5-hydrazinyl-N-[2-(2-methylpyrazol-3-yl)ethyl]pyridine-2-carboxamide
CID 103011437
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

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide (CID 103006505) is 2-(aminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide is Cn1nccc1CCNC(=O)c1csc(CN)n1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
The InChIKey is MTNQFHQYIXTYMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS/c1-16-8(3-5-14-16)2-4-13-11(17)9-7-18-10(6-12)15-9/h3,5,7H,2,4,6,12H2,1H3,(H,13,17).
What are the key properties of 2-(aminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide has a molecular weight of 265.34 g/mol, XLogP of 0.31, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(2-methylpyrazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 103006505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).