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

C7H11N3O2S — CID 66375870

IUPAC2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NCCO)cs1
InChIInChI=1S/C7H11N3O2S/c8-3-6-10-5(4-13-6)7(12)9-1-2-11/h4,11H,1-3,8H2,(H,9,12)
InChIKeyGVAAFAGVHARWHC-UHFFFAOYSA-N
MW201.25 g/mol
LogP-0.68
Rot. Bonds4

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

2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide (PubChem CID 66375870) has the molecular formula C7H11N3O2S and a molecular weight of 201.25 g/mol. Its IUPAC name is 2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
PubChem CID66375870
Molecular FormulaC7H11N3O2S
Molecular Weight201.25 g/mol
Exact Mass201.06
IUPAC Name2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide
SMILESNCc1nc(C(=O)NCCO)cs1
InChIInChI=1S/C7H11N3O2S/c8-3-6-10-5(4-13-6)7(12)9-1-2-11/h4,11H,1-3,8H2,(H,9,12)
InChIKeyGVAAFAGVHARWHC-UHFFFAOYSA-N
XLogP-0.68
TPSA88.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.25
LogP ≤ 5-0.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(aminomethyl)-N-(3-aminopropyl)-1,3-thiazole-4-carboxamide
CID 66375745
2-(aminomethyl)-N-[2-(dimethylcarbamoylamino)ethyl]-1,3-thiazole-4-carboxamide
CID 83109262
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-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 66376828
N,2-bis(2-aminoethyl)-1,3-thiazole-4-carboxamide
CID 66389522
2-(aminomethyl)-N-(3-anilinopropyl)-1,3-thiazole-4-carboxamide
CID 119867801
2-(aminomethyl)-N-(3-ethoxypropyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119675579
2-(aminomethyl)-N-(3-butoxypropyl)-1,3-thiazole-4-carboxamide
CID 113265997
2-(aminomethyl)-N-(2-thiophen-2-ylethyl)-1,3-thiazole-4-carboxamide;hydrochloride
CID 119687938
2-(aminomethyl)-N-(2,3-dimethylbutyl)-1,3-thiazole-4-carboxamide
CID 66380048
2-(aminomethyl)-N-[2-(4-methylcyclohexyl)ethyl]-1,3-thiazole-4-carboxamide
CID 66380240

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide (CID 66375870) is 2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide is NCc1nc(C(=O)NCCO)cs1.
What is the InChIKey of 2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide?
The InChIKey is GVAAFAGVHARWHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O2S/c8-3-6-10-5(4-13-6)7(12)9-1-2-11/h4,11H,1-3,8H2,(H,9,12).
What are the key properties of 2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide?
2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide has a molecular weight of 201.25 g/mol, XLogP of -0.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-(2-hydroxyethyl)-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 66375870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).