2-(1-aminoethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide

C10H12N4O2S2 — CID 106381203

IUPAC2-(1-aminoethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)NCc2csc(=O)[nH]2)cs1
InChIInChI=1S/C10H12N4O2S2/c1-5(11)9-14-7(4-17-9)8(15)12-2-6-3-18-10(16)13-6/h3-5H,2,11H2,1H3,(H,12,15)(H,13,16)
InChIKeyFOMXTGKSGBYTDS-UHFFFAOYSA-N
MW284.37 g/mol
LogP0.84
Rot. Bonds4

About 2-(1-aminoethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide

2-(1-aminoethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide (PubChem CID 106381203) has the molecular formula C10H12N4O2S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 2-(1-aminoethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminoethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
PubChem CID106381203
Molecular FormulaC10H12N4O2S2
Molecular Weight284.37 g/mol
Exact Mass284.04
IUPAC Name2-(1-aminoethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
SMILESCC(N)c1nc(C(=O)NCc2csc(=O)[nH]2)cs1
InChIInChI=1S/C10H12N4O2S2/c1-5(11)9-14-7(4-17-9)8(15)12-2-6-3-18-10(16)13-6/h3-5H,2,11H2,1H3,(H,12,15)(H,13,16)
InChIKeyFOMXTGKSGBYTDS-UHFFFAOYSA-N
XLogP0.84
TPSA100.87 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 50.84
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1-aminoethyl)-N-(thiophen-2-ylmethyl)-1,3-thiazole-4-carboxamide
CID 3832023
2-(1-aminoethyl)-N-hydroxy-1,3-thiazole-4-carboxamide
CID 66389377
2-(1-aminoethyl)-N-[(2-chlorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3766569
2-(1-aminoethyl)-N-(3-amino-2-hydroxy-3-oxopropyl)-1,3-thiazole-4-carboxamide
CID 106175806
2-(1-aminoethyl)-N-(cyclopropylmethyl)-1,3-thiazole-4-carboxamide
CID 66373599
2-(1-aminoethyl)-N-[(2,4-difluorophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 3705174
2-(1-aminoethyl)-N-[[3-(hydroxymethyl)phenyl]methyl]-1,3-thiazole-4-carboxamide
CID 107218444
2-(1-aminoethyl)-N-[(1-methylpyrrol-3-yl)methyl]-1,3-thiazole-4-carboxamide
CID 106390834
N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide
CID 103775064
2-(1-aminoethyl)-N-[3-(dimethylamino)propyl]-1,3-thiazole-4-carboxamide
CID 66374195
2-(1-aminoethyl)-N-(2-cyanoethyl)-1,3-thiazole-4-carboxamide
CID 66374975
2-(1-aminoethyl)-N-(5-methylhexyl)-1,3-thiazole-4-carboxamide
CID 113287433

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminoethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The IUPAC name of 2-(1-aminoethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide (CID 106381203) is 2-(1-aminoethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminoethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The canonical SMILES for 2-(1-aminoethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide is CC(N)c1nc(C(=O)NCc2csc(=O)[nH]2)cs1.
What is the InChIKey of 2-(1-aminoethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
The InChIKey is FOMXTGKSGBYTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S2/c1-5(11)9-14-7(4-17-9)8(15)12-2-6-3-18-10(16)13-6/h3-5H,2,11H2,1H3,(H,12,15)(H,13,16).
What are the key properties of 2-(1-aminoethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide?
2-(1-aminoethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide has a molecular weight of 284.37 g/mol, XLogP of 0.84, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminoethyl)-N-[(2-oxo-3H-1,3-thiazol-4-yl)methyl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 106381203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).