1,1-diethyl-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea

C12H20N4OS — CID 47433636

IUPAC1,1-diethyl-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
SMILESCCN(CC)C(=O)Nc1nc2c(s1)CN(C)CC2
InChIInChI=1S/C12H20N4OS/c1-4-16(5-2)12(17)14-11-13-9-6-7-15(3)8-10(9)18-11/h4-8H2,1-3H3,(H,13,14,17)
InChIKeyLDOSVKHGZPVAFP-UHFFFAOYSA-N
MW268.39 g/mol
LogP2.00
Rot. Bonds3

About 1,1-diethyl-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea

1,1-diethyl-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea (PubChem CID 47433636) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 1,1-diethyl-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea.

Molecular Properties

Compound Name1,1-diethyl-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
PubChem CID47433636
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name1,1-diethyl-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea
SMILESCCN(CC)C(=O)Nc1nc2c(s1)CN(C)CC2
InChIInChI=1S/C12H20N4OS/c1-4-16(5-2)12(17)14-11-13-9-6-7-15(3)8-10(9)18-11/h4-8H2,1-3H3,(H,13,14,17)
InChIKeyLDOSVKHGZPVAFP-UHFFFAOYSA-N
XLogP2.00
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N'-benzyl-N'-ethyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
CID 108523244
2-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)acetamide
CID 39177210
2-amino-2-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 110460913
4-(diethylaminomethyl)-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)benzamide
CID 55650727
2-amino-3-hydroxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 110480609
3-methoxy-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)propanamide
CID 110480434
4-amino-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)butanamide
CID 39177041
N'-(2-hydroxyethyl)-N'-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)oxamide
CID 108526707
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-oxo-2-piperidin-1-ylacetamide
CID 108517269
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-morpholin-4-ylacetamide
CID 110444203
2-(2-acetamido-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl)-N,N-diethylacetamide
CID 90525284
3-methoxy-1-methyl-N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)pyrazole-4-carboxamide
CID 167972155

Frequently Asked Questions

What is the IUPAC name of 1,1-diethyl-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea?
The IUPAC name of 1,1-diethyl-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea (CID 47433636) is 1,1-diethyl-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea.
What is the SMILES notation for 1,1-diethyl-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea?
The canonical SMILES for 1,1-diethyl-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea is CCN(CC)C(=O)Nc1nc2c(s1)CN(C)CC2.
What is the InChIKey of 1,1-diethyl-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea?
The InChIKey is LDOSVKHGZPVAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-4-16(5-2)12(17)14-11-13-9-6-7-15(3)8-10(9)18-11/h4-8H2,1-3H3,(H,13,14,17).
What are the key properties of 1,1-diethyl-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea?
1,1-diethyl-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea has a molecular weight of 268.39 g/mol, XLogP of 2.00, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-diethyl-3-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)urea is sourced from PubChem (CID 47433636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).