(2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

C12H15N5OS — CID 72886103

IUPAC(2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCCc1nc(N)sc1C(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C12H15N5OS/c1-2-7-10(19-12(13)16-7)11(18)17-4-3-8-9(5-17)15-6-14-8/h6H,2-5H2,1H3,(H2,13,16)(H,14,15)
InChIKeyPQWSFQBAJMUDDZ-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.21
Rot. Bonds2

About (2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone

(2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (PubChem CID 72886103) has the molecular formula C12H15N5OS and a molecular weight of 277.35 g/mol. Its IUPAC name is (2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.

Molecular Properties

Compound Name(2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
PubChem CID72886103
Molecular FormulaC12H15N5OS
Molecular Weight277.35 g/mol
Exact Mass277.10
IUPAC Name(2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone
SMILESCCc1nc(N)sc1C(=O)N1CCc2nc[nH]c2C1
InChIInChI=1S/C12H15N5OS/c1-2-7-10(19-12(13)16-7)11(18)17-4-3-8-9(5-17)15-6-14-8/h6H,2-5H2,1H3,(H2,13,16)(H,14,15)
InChIKeyPQWSFQBAJMUDDZ-UHFFFAOYSA-N
XLogP1.21
TPSA87.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The IUPAC name of (2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone (CID 72886103) is (2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone.
What is the SMILES notation for (2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The canonical SMILES for (2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is CCc1nc(N)sc1C(=O)N1CCc2nc[nH]c2C1.
What is the InChIKey of (2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
The InChIKey is PQWSFQBAJMUDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5OS/c1-2-7-10(19-12(13)16-7)11(18)17-4-3-8-9(5-17)15-6-14-8/h6H,2-5H2,1H3,(H2,13,16)(H,14,15).
What are the key properties of (2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone?
(2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone has a molecular weight of 277.35 g/mol, XLogP of 1.21, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-amino-4-ethyl-1,3-thiazol-5-yl)-(3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methanone is sourced from PubChem (CID 72886103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).