1-(3-methylphenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea

C18H22N4O2S — CID 16897133

IUPAC1-(3-methylphenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea
SMILESCc1cccc(NC(=O)Nc2nc(C)c(C(=O)N3CCCCC3)s2)c1
InChIInChI=1S/C18H22N4O2S/c1-12-7-6-8-14(11-12)20-17(24)21-18-19-13(2)15(25-18)16(23)22-9-4-3-5-10-22/h6-8,11H,3-5,9-10H2,1-2H3,(H2,19,20,21,24)
InChIKeyMVZMCQQUKDQCHU-UHFFFAOYSA-N
MW358.47 g/mol
LogP4.03
Rot. Bonds3

About 1-(3-methylphenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea

1-(3-methylphenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea (PubChem CID 16897133) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 1-(3-methylphenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(3-methylphenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea
PubChem CID16897133
Molecular FormulaC18H22N4O2S
Molecular Weight358.47 g/mol
Exact Mass358.15
IUPAC Name1-(3-methylphenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea
SMILESCc1cccc(NC(=O)Nc2nc(C)c(C(=O)N3CCCCC3)s2)c1
InChIInChI=1S/C18H22N4O2S/c1-12-7-6-8-14(11-12)20-17(24)21-18-19-13(2)15(25-18)16(23)22-9-4-3-5-10-22/h6-8,11H,3-5,9-10H2,1-2H3,(H2,19,20,21,24)
InChIKeyMVZMCQQUKDQCHU-UHFFFAOYSA-N
XLogP4.03
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.47
LogP ≤ 54.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(4-acetylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(3-methylphenyl)urea
CID 16897245
1-(3-chlorophenyl)-3-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]urea
CID 16897412
1-(4-chlorophenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea
CID 16897556
1-[4-(azepane-1-carbonyl)-1,3-thiazol-2-yl]-3-(3-methylphenyl)urea
CID 16948435
4-methyl-N-(4-methylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897185
1-[5-(4-benzhydrylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylurea
CID 16897004
1-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 16897842
N-(3-bromophenyl)-4-methyl-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897194
1-[5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]-3-phenylurea
CID 16897007
3-chloro-N-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]benzamide
CID 1468320
4-methyl-N-(2-methylphenyl)-2-[(3-methylphenyl)carbamoylamino]-1,3-thiazole-5-carboxamide
CID 16897183
1-(4-chlorophenyl)-3-[5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]urea
CID 16897565

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(3-methylphenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea (CID 16897133) is 1-(3-methylphenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(3-methylphenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(3-methylphenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea is Cc1cccc(NC(=O)Nc2nc(C)c(C(=O)N3CCCCC3)s2)c1.
What is the InChIKey of 1-(3-methylphenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea?
The InChIKey is MVZMCQQUKDQCHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-12-7-6-8-14(11-12)20-17(24)21-18-19-13(2)15(25-18)16(23)22-9-4-3-5-10-22/h6-8,11H,3-5,9-10H2,1-2H3,(H2,19,20,21,24).
What are the key properties of 1-(3-methylphenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea?
1-(3-methylphenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea has a molecular weight of 358.47 g/mol, XLogP of 4.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 16897133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).