1-[5-[2-chloro-6-(morpholine-4-carbonyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea

C17H20ClN7O3S — CID 58440784

IUPAC1-[5-[2-chloro-6-(morpholine-4-carbonyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea
SMILESCNC(=O)Nc1nc2c(s1)CN(c1cc(C(=O)N3CCOCC3)nc(Cl)n1)CC2
InChIInChI=1S/C17H20ClN7O3S/c1-19-16(27)23-17-21-10-2-3-25(9-12(10)29-17)13-8-11(20-15(18)22-13)14(26)24-4-6-28-7-5-24/h8H,2-7,9H2,1H3,(H2,19,21,23,27)
InChIKeyLVVJOZRXISWRCM-UHFFFAOYSA-N
MW437.91 g/mol
LogP1.37
Rot. Bonds3

About 1-[5-[2-chloro-6-(morpholine-4-carbonyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea

1-[5-[2-chloro-6-(morpholine-4-carbonyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea (PubChem CID 58440784) has the molecular formula C17H20ClN7O3S and a molecular weight of 437.91 g/mol. Its IUPAC name is 1-[5-[2-chloro-6-(morpholine-4-carbonyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea.

Molecular Properties

Compound Name1-[5-[2-chloro-6-(morpholine-4-carbonyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea
PubChem CID58440784
Molecular FormulaC17H20ClN7O3S
Molecular Weight437.91 g/mol
Exact Mass437.10
IUPAC Name1-[5-[2-chloro-6-(morpholine-4-carbonyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea
SMILESCNC(=O)Nc1nc2c(s1)CN(c1cc(C(=O)N3CCOCC3)nc(Cl)n1)CC2
InChIInChI=1S/C17H20ClN7O3S/c1-19-16(27)23-17-21-10-2-3-25(9-12(10)29-17)13-8-11(20-15(18)22-13)14(26)24-4-6-28-7-5-24/h8H,2-7,9H2,1H3,(H2,19,21,23,27)
InChIKeyLVVJOZRXISWRCM-UHFFFAOYSA-N
XLogP1.37
TPSA112.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.91
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[5-[2-chloro-6-(morpholine-4-carbonyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea with MolForge

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Related Compounds

2-chloro-N-(2-hydroxyethyl)-6-[2-(methylcarbamoylamino)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-5-yl]pyrimidine-4-carboxamide
CID 58441138
1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-morpholin-4-yl-3-oxopropyl)urea
CID 58441151
1-methyl-3-[5-(6-methylsulfanylpyrazin-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 88932103
1-[5-(6-imidazol-1-ylpyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea
CID 58441028
1-[5-(aminocarbamothioyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea
CID 154659697
1-(5-tert-butylphosphanylcarbonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-3-methylurea
CID 88932094
5-methyl-N-[5-(5-methyl-1,2-oxazole-3-carbonyl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-1,2-oxazole-3-carboxamide
CID 90530430
N-[5-[5-chloro-4-(3,5-dimethyl-2-pyridinyl)-2-pyridinyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-morpholin-4-ylpropanamide
CID 118684796
1-cyclohexyl-3-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]urea
CID 58440875
1-[5-(2,6-dimethoxypyrimidin-4-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-(3-methoxyphenyl)urea
CID 58440883
N-(5-methyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl)-2-morpholin-4-ylacetamide
CID 110444203
N-[5-(6-methoxypyrazin-2-yl)-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]acetamide
CID 46872178

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-chloro-6-(morpholine-4-carbonyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea?
The IUPAC name of 1-[5-[2-chloro-6-(morpholine-4-carbonyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea (CID 58440784) is 1-[5-[2-chloro-6-(morpholine-4-carbonyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea.
What is the SMILES notation for 1-[5-[2-chloro-6-(morpholine-4-carbonyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea?
The canonical SMILES for 1-[5-[2-chloro-6-(morpholine-4-carbonyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea is CNC(=O)Nc1nc2c(s1)CN(c1cc(C(=O)N3CCOCC3)nc(Cl)n1)CC2.
What is the InChIKey of 1-[5-[2-chloro-6-(morpholine-4-carbonyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea?
The InChIKey is LVVJOZRXISWRCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN7O3S/c1-19-16(27)23-17-21-10-2-3-25(9-12(10)29-17)13-8-11(20-15(18)22-13)14(26)24-4-6-28-7-5-24/h8H,2-7,9H2,1H3,(H2,19,21,23,27).
What are the key properties of 1-[5-[2-chloro-6-(morpholine-4-carbonyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea?
1-[5-[2-chloro-6-(morpholine-4-carbonyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea has a molecular weight of 437.91 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[2-chloro-6-(morpholine-4-carbonyl)pyrimidin-4-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-3-methylurea is sourced from PubChem (CID 58440784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).