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

C15H20N6O2S — CID 90529973

IUPAC1-propan-2-yl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
SMILESCC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)Cn1cccn1)CC2
InChIInChI=1S/C15H20N6O2S/c1-10(2)17-14(23)19-15-18-11-4-7-20(8-12(11)24-15)13(22)9-21-6-3-5-16-21/h3,5-6,10H,4,7-9H2,1-2H3,(H2,17,18,19,23)
InChIKeyKYLRVNBQFKSCTD-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.45
Rot. Bonds4

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

1-propan-2-yl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (PubChem CID 90529973) has the molecular formula C15H20N6O2S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-propan-2-yl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.

Molecular Properties

Compound Name1-propan-2-yl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
PubChem CID90529973
Molecular FormulaC15H20N6O2S
Molecular Weight348.43 g/mol
Exact Mass348.14
IUPAC Name1-propan-2-yl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
SMILESCC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)Cn1cccn1)CC2
InChIInChI=1S/C15H20N6O2S/c1-10(2)17-14(23)19-15-18-11-4-7-20(8-12(11)24-15)13(22)9-21-6-3-5-16-21/h3,5-6,10H,4,7-9H2,1-2H3,(H2,17,18,19,23)
InChIKeyKYLRVNBQFKSCTD-UHFFFAOYSA-N
XLogP1.45
TPSA92.15 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-propan-2-yl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-propan-2-yl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?
The IUPAC name of 1-propan-2-yl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea (CID 90529973) is 1-propan-2-yl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea.
What is the SMILES notation for 1-propan-2-yl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?
The canonical SMILES for 1-propan-2-yl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is CC(C)NC(=O)Nc1nc2c(s1)CN(C(=O)Cn1cccn1)CC2.
What is the InChIKey of 1-propan-2-yl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?
The InChIKey is KYLRVNBQFKSCTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O2S/c1-10(2)17-14(23)19-15-18-11-4-7-20(8-12(11)24-15)13(22)9-21-6-3-5-16-21/h3,5-6,10H,4,7-9H2,1-2H3,(H2,17,18,19,23).
What are the key properties of 1-propan-2-yl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea?
1-propan-2-yl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea has a molecular weight of 348.43 g/mol, XLogP of 1.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propan-2-yl-3-[5-(2-pyrazol-1-ylacetyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea is sourced from PubChem (CID 90529973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).