6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-ethylpyridine-3-carboxamide

C16H17N5OS2 — CID 121477188

IUPAC6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1
InChIInChI=1S/C16H17N5OS2/c1-4-17-15(22)11-5-6-13(18-7-11)21-16-20-12(8-23-16)14-9(2)19-10(3)24-14/h5-8H,4H2,1-3H3,(H,17,22)(H,18,20,21)
InChIKeyDORHZSVKWVOPAY-UHFFFAOYSA-N
MW359.48 g/mol
LogP3.77
Rot. Bonds5

About 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-ethylpyridine-3-carboxamide

6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-ethylpyridine-3-carboxamide (PubChem CID 121477188) has the molecular formula C16H17N5OS2 and a molecular weight of 359.48 g/mol. Its IUPAC name is 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-ethylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-ethylpyridine-3-carboxamide
PubChem CID121477188
Molecular FormulaC16H17N5OS2
Molecular Weight359.48 g/mol
Exact Mass359.09
IUPAC Name6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-ethylpyridine-3-carboxamide
SMILESCCNC(=O)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1
InChIInChI=1S/C16H17N5OS2/c1-4-17-15(22)11-5-6-13(18-7-11)21-16-20-12(8-23-16)14-9(2)19-10(3)24-14/h5-8H,4H2,1-3H3,(H,17,22)(H,18,20,21)
InChIKeyDORHZSVKWVOPAY-UHFFFAOYSA-N
XLogP3.77
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.48
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-ethylpyridine-3-carboxamide?
The IUPAC name of 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-ethylpyridine-3-carboxamide (CID 121477188) is 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-ethylpyridine-3-carboxamide.
What is the SMILES notation for 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-ethylpyridine-3-carboxamide?
The canonical SMILES for 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-ethylpyridine-3-carboxamide is CCNC(=O)c1ccc(Nc2nc(-c3sc(C)nc3C)cs2)nc1.
What is the InChIKey of 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-ethylpyridine-3-carboxamide?
The InChIKey is DORHZSVKWVOPAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS2/c1-4-17-15(22)11-5-6-13(18-7-11)21-16-20-12(8-23-16)14-9(2)19-10(3)24-14/h5-8H,4H2,1-3H3,(H,17,22)(H,18,20,21).
What are the key properties of 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-ethylpyridine-3-carboxamide?
6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-ethylpyridine-3-carboxamide has a molecular weight of 359.48 g/mol, XLogP of 3.77, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-yl]amino]-N-ethylpyridine-3-carboxamide is sourced from PubChem (CID 121477188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).