1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[2-(2-methylpropyl)pyrimidin-5-yl]urea

C16H21N5O2S — CID 138025161

IUPAC1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[2-(2-methylpropyl)pyrimidin-5-yl]urea
SMILESCC(C)Cc1ncc(NC(=O)NCc2nc3c(s2)COCC3)cn1
InChIInChI=1S/C16H21N5O2S/c1-10(2)5-14-17-6-11(7-18-14)20-16(22)19-8-15-21-12-3-4-23-9-13(12)24-15/h6-7,10H,3-5,8-9H2,1-2H3,(H2,19,20,22)
InChIKeyLAEMGLCXGAFJMR-UHFFFAOYSA-N
MW347.44 g/mol
LogP2.53
Rot. Bonds5

About 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[2-(2-methylpropyl)pyrimidin-5-yl]urea

1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[2-(2-methylpropyl)pyrimidin-5-yl]urea (PubChem CID 138025161) has the molecular formula C16H21N5O2S and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[2-(2-methylpropyl)pyrimidin-5-yl]urea.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[2-(2-methylpropyl)pyrimidin-5-yl]urea
PubChem CID138025161
Molecular FormulaC16H21N5O2S
Molecular Weight347.44 g/mol
Exact Mass347.14
IUPAC Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[2-(2-methylpropyl)pyrimidin-5-yl]urea
SMILESCC(C)Cc1ncc(NC(=O)NCc2nc3c(s2)COCC3)cn1
InChIInChI=1S/C16H21N5O2S/c1-10(2)5-14-17-6-11(7-18-14)20-16(22)19-8-15-21-12-3-4-23-9-13(12)24-15/h6-7,10H,3-5,8-9H2,1-2H3,(H2,19,20,22)
InChIKeyLAEMGLCXGAFJMR-UHFFFAOYSA-N
XLogP2.53
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[2-(2-methylpropyl)pyrimidin-5-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

Related Compounds

5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine
CID 63020369
N-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887325
N4,N4-dimethyl-N6-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]pyrimidine-4,6-diamine
CID 126888592
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea
CID 138027931
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-3-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-ylmethyl)urea
CID 154736810

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[2-(2-methylpropyl)pyrimidin-5-yl]urea?
The IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[2-(2-methylpropyl)pyrimidin-5-yl]urea (CID 138025161) is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[2-(2-methylpropyl)pyrimidin-5-yl]urea.
What is the SMILES notation for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[2-(2-methylpropyl)pyrimidin-5-yl]urea?
The canonical SMILES for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[2-(2-methylpropyl)pyrimidin-5-yl]urea is CC(C)Cc1ncc(NC(=O)NCc2nc3c(s2)COCC3)cn1.
What is the InChIKey of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[2-(2-methylpropyl)pyrimidin-5-yl]urea?
The InChIKey is LAEMGLCXGAFJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N5O2S/c1-10(2)5-14-17-6-11(7-18-14)20-16(22)19-8-15-21-12-3-4-23-9-13(12)24-15/h6-7,10H,3-5,8-9H2,1-2H3,(H2,19,20,22).
What are the key properties of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[2-(2-methylpropyl)pyrimidin-5-yl]urea?
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[2-(2-methylpropyl)pyrimidin-5-yl]urea has a molecular weight of 347.44 g/mol, XLogP of 2.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[2-(2-methylpropyl)pyrimidin-5-yl]urea is sourced from PubChem (CID 138025161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).