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

C14H17N5O3S — CID 138027931

IUPAC1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea
SMILESCOCc1cc(NC(=O)NCc2nc3c(s2)COCC3)ncn1
InChIInChI=1S/C14H17N5O3S/c1-21-6-9-4-12(17-8-16-9)19-14(20)15-5-13-18-10-2-3-22-7-11(10)23-13/h4,8H,2-3,5-7H2,1H3,(H2,15,16,17,19,20)
InChIKeyIITITUQNWYTBOL-UHFFFAOYSA-N
MW335.39 g/mol
LogP1.47
Rot. Bonds5

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

1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea (PubChem CID 138027931) has the molecular formula C14H17N5O3S and a molecular weight of 335.39 g/mol. Its IUPAC name is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea.

Molecular Properties

Compound Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea
PubChem CID138027931
Molecular FormulaC14H17N5O3S
Molecular Weight335.39 g/mol
Exact Mass335.11
IUPAC Name1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea
SMILESCOCc1cc(NC(=O)NCc2nc3c(s2)COCC3)ncn1
InChIInChI=1S/C14H17N5O3S/c1-21-6-9-4-12(17-8-16-9)19-14(20)15-5-13-18-10-2-3-22-7-11(10)23-13/h4,8H,2-3,5-7H2,1H3,(H2,15,16,17,19,20)
InChIKeyIITITUQNWYTBOL-UHFFFAOYSA-N
XLogP1.47
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.39
LogP ≤ 51.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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

[2-[2-Methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 110271885
N,2-dimethyl-6-[4-[(4-methyl-1,3-thiazol-5-yl)methyl]morpholin-2-yl]pyrimidin-4-amine
CID 110271889
N-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 126889774
N-[2-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)ethyl]-6-(methoxymethyl)pyrimidin-4-amine
CID 72871253
1-[6-(Methoxymethyl)pyrimidin-4-yl]-3-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]urea
CID 75385617
N-ethyl-6-(methoxymethyl)-2-(1,3-thiazol-4-yl)pyrimidin-4-amine
CID 80492543
6-(methoxymethyl)-N-propyl-2-(1,3-thiazol-4-yl)pyrimidin-4-amine
CID 80492569
[(2S)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 95847625
[(2R)-2-[2-methyl-6-(methylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,3-thiazol-4-yl)methanone
CID 95847626
(2R)-N-[6-(methoxymethyl)pyrimidin-4-yl]-2-(2-methyl-1,3-thiazol-4-yl)pyrrolidine-1-carboxamide
CID 121549242
6-methyl-N-[1-({4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}methyl)piperidin-4-yl]pyrimidin-4-amine
CID 126887749
6-methyl-N-(1-{4H,6H,7H-pyrano[4,3-d][1,3]thiazol-2-yl}piperidin-4-yl)pyrimidin-4-amine
CID 126887833

Frequently Asked Questions

What is the IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea?
The IUPAC name of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea (CID 138027931) is 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea.
What is the SMILES notation for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea?
The canonical SMILES for 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea is COCc1cc(NC(=O)NCc2nc3c(s2)COCC3)ncn1.
What is the InChIKey of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea?
The InChIKey is IITITUQNWYTBOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O3S/c1-21-6-9-4-12(17-8-16-9)19-14(20)15-5-13-18-10-2-3-22-7-11(10)23-13/h4,8H,2-3,5-7H2,1H3,(H2,15,16,17,19,20).
What are the key properties of 1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea?
1-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-ylmethyl)-3-[6-(methoxymethyl)pyrimidin-4-yl]urea has a molecular weight of 335.39 g/mol, XLogP of 1.47, 5 rotatable bonds, 2 hydrogen bond donors, and 7 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-[6-(methoxymethyl)pyrimidin-4-yl]urea is sourced from PubChem (CID 138027931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).