1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea

C19H20N6O2S2 — CID 87347624

IUPAC1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCSc1cnc(-c2ccc(NC(=O)Nc3nccs3)cc2)nc1N1CCOCC1
InChIInChI=1S/C19H20N6O2S2/c1-28-15-12-21-16(23-17(15)25-7-9-27-10-8-25)13-2-4-14(5-3-13)22-18(26)24-19-20-6-11-29-19/h2-6,11-12H,7-10H2,1H3,(H2,20,22,24,26)
InChIKeyMPRBTQUSLOTGQF-UHFFFAOYSA-N
MW428.54 g/mol
LogP3.80
Rot. Bonds5

About 1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea

1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea (PubChem CID 87347624) has the molecular formula C19H20N6O2S2 and a molecular weight of 428.54 g/mol. Its IUPAC name is 1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea
PubChem CID87347624
Molecular FormulaC19H20N6O2S2
Molecular Weight428.54 g/mol
Exact Mass428.11
IUPAC Name1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea
SMILESCSc1cnc(-c2ccc(NC(=O)Nc3nccs3)cc2)nc1N1CCOCC1
InChIInChI=1S/C19H20N6O2S2/c1-28-15-12-21-16(23-17(15)25-7-9-27-10-8-25)13-2-4-14(5-3-13)22-18(26)24-19-20-6-11-29-19/h2-6,11-12H,7-10H2,1H3,(H2,20,22,24,26)
InChIKeyMPRBTQUSLOTGQF-UHFFFAOYSA-N
XLogP3.80
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.54
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea with MolForge

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Related Compounds

Cyc-116
CID 6420138
7-(Morpholin-4-ylmethyl)-3-[2-(pyridin-4-yl)-1,3-thiazol-4-yl]-1,2,3,4-tetrahydroquinazolin-2-one
CID 10319232
CDK Inhibitor, 9
CID 11510921
1-(Morpholin-4-Yl)-2-[4-(2-{[5-(Pyridin-3-Yl)-1,3-Thiazol-2-Yl]amino}pyridin-4-Yl)piperazin-1-Yl]ethanone
CID 56932125
[4-(2-Amino-4-methyl-thiazol-5-yl)-pyrimidin-2-yl]-[4-methyl-3-(morpholine-4-sulfonyl)-phenyl]-amine
CID 11640878
N-[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(5-propan-2-yl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]ethenyl]phenyl]prop-2-enamide
CID 162648381
N-[4-[(E)-2-[4-(4-methylpiperazin-1-yl)-6-[(5-methyl-1,3-thiazol-2-yl)amino]pyrimidin-2-yl]ethenyl]phenyl]prop-2-enamide
CID 162662281
N-{4-[2-(2-pyrimidinylamino)-1,3-thiazol-4-yl]phenyl}acetamide
CID 972289
5-(2-methylpyrimidin-5-yl)-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979020
N-(4-morpholin-4-yl-2-pyridinyl)-5-(5-pyrimidin-5-yl-3-pyridinyl)-1,3-thiazol-2-amine
CID 15979397
5-[5-(2-methoxypyrimidin-5-yl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15979398
5-[5-(3-aminopropyl)-3-pyridinyl]-N-(4-morpholin-4-yl-2-pyridinyl)-1,3-thiazol-2-amine
CID 15980475

Frequently Asked Questions

What is the IUPAC name of 1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea (CID 87347624) is 1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea is CSc1cnc(-c2ccc(NC(=O)Nc3nccs3)cc2)nc1N1CCOCC1.
What is the InChIKey of 1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea?
The InChIKey is MPRBTQUSLOTGQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2S2/c1-28-15-12-21-16(23-17(15)25-7-9-27-10-8-25)13-2-4-14(5-3-13)22-18(26)24-19-20-6-11-29-19/h2-6,11-12H,7-10H2,1H3,(H2,20,22,24,26).
What are the key properties of 1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea?
1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea has a molecular weight of 428.54 g/mol, XLogP of 3.80, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(5-methylsulfanyl-4-morpholin-4-ylpyrimidin-2-yl)phenyl]-3-(1,3-thiazol-2-yl)urea is sourced from PubChem (CID 87347624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).