1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(3-propan-2-ylphenyl)urea

C19H22N6OS — CID 155669052

IUPAC1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(3-propan-2-ylphenyl)urea
SMILESCNc1nccc(-c2sc(NC(=O)Nc3cccc(C(C)C)c3)nc2C)n1
InChIInChI=1S/C19H22N6OS/c1-11(2)13-6-5-7-14(10-13)23-18(26)25-19-22-12(3)16(27-19)15-8-9-21-17(20-4)24-15/h5-11H,1-4H3,(H,20,21,24)(H2,22,23,25,26)
InChIKeySVNYRFXTFCTVRX-UHFFFAOYSA-N
MW382.49 g/mol
LogP4.72
Rot. Bonds5

About 1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(3-propan-2-ylphenyl)urea

1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(3-propan-2-ylphenyl)urea (PubChem CID 155669052) has the molecular formula C19H22N6OS and a molecular weight of 382.49 g/mol. Its IUPAC name is 1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(3-propan-2-ylphenyl)urea.

Molecular Properties

Compound Name1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(3-propan-2-ylphenyl)urea
PubChem CID155669052
Molecular FormulaC19H22N6OS
Molecular Weight382.49 g/mol
Exact Mass382.16
IUPAC Name1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(3-propan-2-ylphenyl)urea
SMILESCNc1nccc(-c2sc(NC(=O)Nc3cccc(C(C)C)c3)nc2C)n1
InChIInChI=1S/C19H22N6OS/c1-11(2)13-6-5-7-14(10-13)23-18(26)25-19-22-12(3)16(27-19)15-8-9-21-17(20-4)24-15/h5-11H,1-4H3,(H,20,21,24)(H2,22,23,25,26)
InChIKeySVNYRFXTFCTVRX-UHFFFAOYSA-N
XLogP4.72
TPSA91.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 54.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(4-methylphenyl)urea
CID 151755824
[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]urea
CID 175846540
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-[3-(1-hydroxyethyl)phenyl]urea
CID 61466520
N-[5-[2-(3-methoxyanilino)pyrimidin-4-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 87365300
3-amino-N-[4-methyl-5-[2-(3-nitrosoanilino)pyrimidin-4-yl]-1,3-thiazol-2-yl]propanamide
CID 88968849
4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-amine
CID 155315773
N-[3-[[3-[2-(methylamino)pyrimidin-4-yl]-2-pyridinyl]oxy]phenyl]-3-propan-2-ylbenzamide
CID 58588466
1-[4-methyl-2-(3-propan-2-ylanilino)-1,3-thiazol-5-yl]ethanone
CID 47302553
methyl-[4-[[4-[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenyl]carbamic acid
CID 87366230
1-propan-2-yl-3-(3-propan-2-ylphenyl)urea
CID 47173712
3-[[4-[4-methyl-2-(2-methylanilino)-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]phenol
CID 87954429
1-(1-cyclopropylethyl)-3-(3-propan-2-ylphenyl)urea
CID 47133190

Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(3-propan-2-ylphenyl)urea?
The IUPAC name of 1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(3-propan-2-ylphenyl)urea (CID 155669052) is 1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(3-propan-2-ylphenyl)urea.
What is the SMILES notation for 1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(3-propan-2-ylphenyl)urea?
The canonical SMILES for 1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(3-propan-2-ylphenyl)urea is CNc1nccc(-c2sc(NC(=O)Nc3cccc(C(C)C)c3)nc2C)n1.
What is the InChIKey of 1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(3-propan-2-ylphenyl)urea?
The InChIKey is SVNYRFXTFCTVRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6OS/c1-11(2)13-6-5-7-14(10-13)23-18(26)25-19-22-12(3)16(27-19)15-8-9-21-17(20-4)24-15/h5-11H,1-4H3,(H,20,21,24)(H2,22,23,25,26).
What are the key properties of 1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(3-propan-2-ylphenyl)urea?
1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(3-propan-2-ylphenyl)urea has a molecular weight of 382.49 g/mol, XLogP of 4.72, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-5-[2-(methylamino)pyrimidin-4-yl]-1,3-thiazol-2-yl]-3-(3-propan-2-ylphenyl)urea is sourced from PubChem (CID 155669052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).