4-amino-2-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide

C11H15N5OS2 — CID 116663961

IUPAC4-amino-2-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NCc2cnc(C)s2)s1
InChIInChI=1S/C11H15N5OS2/c1-3-13-11-16-9(12)8(19-11)10(17)15-5-7-4-14-6(2)18-7/h4H,3,5,12H2,1-2H3,(H,13,16)(H,15,17)
InChIKeyQPDQJAQNUWFSEF-UHFFFAOYSA-N
MW297.41 g/mol
LogP1.85
Rot. Bonds5

About 4-amino-2-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide

4-amino-2-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide (PubChem CID 116663961) has the molecular formula C11H15N5OS2 and a molecular weight of 297.41 g/mol. Its IUPAC name is 4-amino-2-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name4-amino-2-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
PubChem CID116663961
Molecular FormulaC11H15N5OS2
Molecular Weight297.41 g/mol
Exact Mass297.07
IUPAC Name4-amino-2-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide
SMILESCCNc1nc(N)c(C(=O)NCc2cnc(C)s2)s1
InChIInChI=1S/C11H15N5OS2/c1-3-13-11-16-9(12)8(19-11)10(17)15-5-7-4-14-6(2)18-7/h4H,3,5,12H2,1-2H3,(H,13,16)(H,15,17)
InChIKeyQPDQJAQNUWFSEF-UHFFFAOYSA-N
XLogP1.85
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 51.85
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-amino-2-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-amino-2-(ethylamino)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-5-carboxamide
CID 116668197
4-amino-2-(ethylamino)-N-[(3-ethyl-2-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 116672026
4-amino-2-(ethylamino)-N-(2-methylpropyl)-1,3-thiazole-5-carboxamide
CID 116667670
4-amino-2-(2-methylpropylamino)-N-[(5-methylthiophen-2-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116665119
4-amino-2-(ethylamino)-N-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1,3-thiazole-5-carboxamide
CID 116671010
4-amino-N-[(5-methylpyrazin-2-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116665607
4-amino-2-(ethylamino)-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 116665964
4-amino-2-(ethylamino)-N-[(2-methoxy-4-pyridinyl)methyl]-1,3-thiazole-5-carboxamide
CID 116665794
4-amino-2-(ethylamino)-N-hexadecyl-1,3-thiazole-5-carboxamide
CID 171133620
6-amino-N-[(2-methyl-1,3-thiazol-5-yl)methyl]pyrazine-2-carboxamide
CID 114035828
4-amino-2-(ethylamino)-N-(3,3,3-trifluoropropyl)-1,3-thiazole-5-carboxamide
CID 116665947
4-amino-N-[(4-methylthiophen-3-yl)methyl]-2-(propylamino)-1,3-thiazole-5-carboxamide
CID 116671544

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide?
The IUPAC name of 4-amino-2-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide (CID 116663961) is 4-amino-2-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 4-amino-2-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide?
The canonical SMILES for 4-amino-2-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide is CCNc1nc(N)c(C(=O)NCc2cnc(C)s2)s1.
What is the InChIKey of 4-amino-2-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide?
The InChIKey is QPDQJAQNUWFSEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5OS2/c1-3-13-11-16-9(12)8(19-11)10(17)15-5-7-4-14-6(2)18-7/h4H,3,5,12H2,1-2H3,(H,13,16)(H,15,17).
What are the key properties of 4-amino-2-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide?
4-amino-2-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide has a molecular weight of 297.41 g/mol, XLogP of 1.85, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(ethylamino)-N-[(2-methyl-1,3-thiazol-5-yl)methyl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 116663961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).