2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-N-ethylacetamide

C12H17N5OS2 — CID 103349191

IUPAC2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1snc(N)c1-c1nc(C)cs1
InChIInChI=1S/C12H17N5OS2/c1-4-14-8(18)5-17(3)12-9(10(13)16-20-12)11-15-7(2)6-19-11/h6H,4-5H2,1-3H3,(H2,13,16)(H,14,18)
InChIKeyZBBLJIQMCVJQCW-UHFFFAOYSA-N
MW311.44 g/mol
LogP1.73
Rot. Bonds5

About 2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-N-ethylacetamide

2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-N-ethylacetamide (PubChem CID 103349191) has the molecular formula C12H17N5OS2 and a molecular weight of 311.44 g/mol. Its IUPAC name is 2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-N-ethylacetamide.

Molecular Properties

Compound Name2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-N-ethylacetamide
PubChem CID103349191
Molecular FormulaC12H17N5OS2
Molecular Weight311.44 g/mol
Exact Mass311.09
IUPAC Name2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-N-ethylacetamide
SMILESCCNC(=O)CN(C)c1snc(N)c1-c1nc(C)cs1
InChIInChI=1S/C12H17N5OS2/c1-4-14-8(18)5-17(3)12-9(10(13)16-20-12)11-15-7(2)6-19-11/h6H,4-5H2,1-3H3,(H2,13,16)(H,14,18)
InChIKeyZBBLJIQMCVJQCW-UHFFFAOYSA-N
XLogP1.73
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.44
LogP ≤ 51.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3-amino-4-pyridin-4-yl-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide
CID 103361438
2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-2-methylpropan-1-ol
CID 103349800
2-[(3-amino-4-propan-2-yloxy-1,2-thiazol-5-yl)-methylamino]-N-ethylacetamide
CID 103361441
5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5-N-(1,3-thiazol-4-ylmethyl)-1,2-thiazole-3,5-diamine
CID 103349079
5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-5-N-(2-propan-2-yloxyethyl)-1,2-thiazole-3,5-diamine
CID 103349665
5-N-(cyclohexylmethyl)-5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349244
5-N-methyl-5-N-(3-methylbutan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349054
5-N-methyl-5-N-(4-methylsulfanylbutan-2-yl)-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349822
5-N-[2-(cyclopropylmethoxy)ethyl]-5-N-methyl-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazole-3,5-diamine
CID 103349675
3-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-1-ol
CID 103349556
1-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]propan-2-ol
CID 103349589
5-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]amino]pentan-1-ol
CID 107324532

Frequently Asked Questions

What is the IUPAC name of 2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-N-ethylacetamide?
The IUPAC name of 2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-N-ethylacetamide (CID 103349191) is 2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-N-ethylacetamide.
What is the SMILES notation for 2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-N-ethylacetamide?
The canonical SMILES for 2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-N-ethylacetamide is CCNC(=O)CN(C)c1snc(N)c1-c1nc(C)cs1.
What is the InChIKey of 2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-N-ethylacetamide?
The InChIKey is ZBBLJIQMCVJQCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS2/c1-4-14-8(18)5-17(3)12-9(10(13)16-20-12)11-15-7(2)6-19-11/h6H,4-5H2,1-3H3,(H2,13,16)(H,14,18).
What are the key properties of 2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-N-ethylacetamide?
2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-N-ethylacetamide has a molecular weight of 311.44 g/mol, XLogP of 1.73, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-amino-4-(4-methyl-1,3-thiazol-2-yl)-1,2-thiazol-5-yl]-methylamino]-N-ethylacetamide is sourced from PubChem (CID 103349191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).