N,N,4-trimethyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxamide

C13H17N5O2S2 — CID 6465558

IUPACN,N,4-trimethyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)CSc2nccn2C)sc1C(=O)N(C)C
InChIInChI=1S/C13H17N5O2S2/c1-8-10(11(20)17(2)3)22-12(15-8)16-9(19)7-21-13-14-5-6-18(13)4/h5-6H,7H2,1-4H3,(H,15,16,19)
InChIKeyBAQLGWDURZLABJ-UHFFFAOYSA-N
MW339.45 g/mol
LogP1.62
Rot. Bonds5

About N,N,4-trimethyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxamide

N,N,4-trimethyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxamide (PubChem CID 6465558) has the molecular formula C13H17N5O2S2 and a molecular weight of 339.45 g/mol. Its IUPAC name is N,N,4-trimethyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN,N,4-trimethyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxamide
PubChem CID6465558
Molecular FormulaC13H17N5O2S2
Molecular Weight339.45 g/mol
Exact Mass339.08
IUPAC NameN,N,4-trimethyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxamide
SMILESCc1nc(NC(=O)CSc2nccn2C)sc1C(=O)N(C)C
InChIInChI=1S/C13H17N5O2S2/c1-8-10(11(20)17(2)3)22-12(15-8)16-9(19)7-21-13-14-5-6-18(13)4/h5-6H,7H2,1-4H3,(H,15,16,19)
InChIKeyBAQLGWDURZLABJ-UHFFFAOYSA-N
XLogP1.62
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.45
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N,4-trimethyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxamide?
The IUPAC name of N,N,4-trimethyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxamide (CID 6465558) is N,N,4-trimethyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N,N,4-trimethyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxamide?
The canonical SMILES for N,N,4-trimethyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxamide is Cc1nc(NC(=O)CSc2nccn2C)sc1C(=O)N(C)C.
What is the InChIKey of N,N,4-trimethyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxamide?
The InChIKey is BAQLGWDURZLABJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2S2/c1-8-10(11(20)17(2)3)22-12(15-8)16-9(19)7-21-13-14-5-6-18(13)4/h5-6H,7H2,1-4H3,(H,15,16,19).
What are the key properties of N,N,4-trimethyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxamide?
N,N,4-trimethyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxamide has a molecular weight of 339.45 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N,4-trimethyl-2-[[2-(1-methylimidazol-2-yl)sulfanylacetyl]amino]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 6465558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).