2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

C13H17N5O2S2 — CID 110451038

IUPAC2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)Cc2csc(CN)n2)sc1C(=O)N(C)C
InChIInChI=1S/C13H17N5O2S2/c1-7-11(12(20)18(2)3)22-13(15-7)17-9(19)4-8-6-21-10(5-14)16-8/h6H,4-5,14H2,1-3H3,(H,15,17,19)
InChIKeyBOMBUODFSWMKEF-UHFFFAOYSA-N
MW339.45 g/mol
LogP1.25
Rot. Bonds5

About 2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide

2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (PubChem CID 110451038) has the molecular formula C13H17N5O2S2 and a molecular weight of 339.45 g/mol. Its IUPAC name is 2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound Name2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
PubChem CID110451038
Molecular FormulaC13H17N5O2S2
Molecular Weight339.45 g/mol
Exact Mass339.08
IUPAC Name2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)Cc2csc(CN)n2)sc1C(=O)N(C)C
InChIInChI=1S/C13H17N5O2S2/c1-7-11(12(20)18(2)3)22-13(15-7)17-9(19)4-8-6-21-10(5-14)16-8/h6H,4-5,14H2,1-3H3,(H,15,17,19)
InChIKeyBOMBUODFSWMKEF-UHFFFAOYSA-N
XLogP1.25
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N,N,4-trimethyl-2-[[2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxamide
CID 30942275
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-methyl-1,3-thiazol-2-yl)acetamide
CID 82547684
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-propylacetamide
CID 94256775
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-propyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82547498
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N,N-dimethylacetamide
CID 82112319
5-[[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]amino]-5-oxopentanoic acid
CID 110442604
2-[(5-ethylthiophene-3-carbonyl)amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide
CID 17250011
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(5-methyl-2-pyridinyl)acetamide
CID 82547737
2-[2-(3-aminopropyl)-1,3-thiazol-4-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 82547668
1-N,2-N-bis[5-(dimethylcarbamoyl)-4-methyl-1,3-thiazol-2-yl]benzene-1,2-dicarboxamide
CID 4065247
2-[2-(aminomethyl)-1,3-thiazol-4-yl]-N-(4-hydroxyphenyl)acetamide
CID 82547725
ethyl 2-[[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-4-methyl-1,3-thiazole-5-carboxylate
CID 16557369

Frequently Asked Questions

What is the IUPAC name of 2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The IUPAC name of 2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide (CID 110451038) is 2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for 2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for 2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)Cc2csc(CN)n2)sc1C(=O)N(C)C.
What is the InChIKey of 2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
The InChIKey is BOMBUODFSWMKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S2/c1-7-11(12(20)18(2)3)22-13(15-7)17-9(19)4-8-6-21-10(5-14)16-8/h6H,4-5,14H2,1-3H3,(H,15,17,19).
What are the key properties of 2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide?
2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 339.45 g/mol, XLogP of 1.25, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]-N,N,4-trimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 110451038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).