1-[5-(1-methyl-2-oxopyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea

C17H21N5O3S — CID 71788163

IUPAC1-[5-(1-methyl-2-oxopyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)c1cccn(C)c1=O)CC2
InChIInChI=1S/C17H21N5O3S/c1-10(2)18-16(25)20-17-19-12-6-8-22(9-13(12)26-17)15(24)11-5-4-7-21(3)14(11)23/h4-5,7,10H,6,8-9H2,1-3H3,(H2,18,19,20,25)
InChIKeyTZPYXZPMHUKNRZ-UHFFFAOYSA-N
MW375.45 g/mol
LogP1.57
Rot. Bonds3

About 1-[5-(1-methyl-2-oxopyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea

1-[5-(1-methyl-2-oxopyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea (PubChem CID 71788163) has the molecular formula C17H21N5O3S and a molecular weight of 375.45 g/mol. Its IUPAC name is 1-[5-(1-methyl-2-oxopyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[5-(1-methyl-2-oxopyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
PubChem CID71788163
Molecular FormulaC17H21N5O3S
Molecular Weight375.45 g/mol
Exact Mass375.14
IUPAC Name1-[5-(1-methyl-2-oxopyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea
SMILESCC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)c1cccn(C)c1=O)CC2
InChIInChI=1S/C17H21N5O3S/c1-10(2)18-16(25)20-17-19-12-6-8-22(9-13(12)26-17)15(24)11-5-4-7-21(3)14(11)23/h4-5,7,10H,6,8-9H2,1-3H3,(H2,18,19,20,25)
InChIKeyTZPYXZPMHUKNRZ-UHFFFAOYSA-N
XLogP1.57
TPSA96.33 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[5-(1-methyl-2-oxopyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[5-(1-methyl-2-oxopyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[5-(1-methyl-2-oxopyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea (CID 71788163) is 1-[5-(1-methyl-2-oxopyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[5-(1-methyl-2-oxopyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[5-(1-methyl-2-oxopyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea is CC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)c1cccn(C)c1=O)CC2.
What is the InChIKey of 1-[5-(1-methyl-2-oxopyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea?
The InChIKey is TZPYXZPMHUKNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O3S/c1-10(2)18-16(25)20-17-19-12-6-8-22(9-13(12)26-17)15(24)11-5-4-7-21(3)14(11)23/h4-5,7,10H,6,8-9H2,1-3H3,(H2,18,19,20,25).
What are the key properties of 1-[5-(1-methyl-2-oxopyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea?
1-[5-(1-methyl-2-oxopyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea has a molecular weight of 375.45 g/mol, XLogP of 1.57, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(1-methyl-2-oxopyridine-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-propan-2-ylurea is sourced from PubChem (CID 71788163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).