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

C17H19ClN4O2S — CID 16897556

IUPAC1-(4-chlorophenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea
SMILESCc1nc(NC(=O)Nc2ccc(Cl)cc2)sc1C(=O)N1CCCCC1
InChIInChI=1S/C17H19ClN4O2S/c1-11-14(15(23)22-9-3-2-4-10-22)25-17(19-11)21-16(24)20-13-7-5-12(18)6-8-13/h5-8H,2-4,9-10H2,1H3,(H2,19,20,21,24)
InChIKeyVOQUYJOJFTYQOJ-UHFFFAOYSA-N
MW378.89 g/mol
LogP4.38
Rot. Bonds3

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

1-(4-chlorophenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea (PubChem CID 16897556) has the molecular formula C17H19ClN4O2S and a molecular weight of 378.89 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea
PubChem CID16897556
Molecular FormulaC17H19ClN4O2S
Molecular Weight378.89 g/mol
Exact Mass378.09
IUPAC Name1-(4-chlorophenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea
SMILESCc1nc(NC(=O)Nc2ccc(Cl)cc2)sc1C(=O)N1CCCCC1
InChIInChI=1S/C17H19ClN4O2S/c1-11-14(15(23)22-9-3-2-4-10-22)25-17(19-11)21-16(24)20-13-7-5-12(18)6-8-13/h5-8H,2-4,9-10H2,1H3,(H2,19,20,21,24)
InChIKeyVOQUYJOJFTYQOJ-UHFFFAOYSA-N
XLogP4.38
TPSA74.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.89
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-chlorophenyl)-3-[5-[4-(2-chlorophenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]urea
CID 16897564
1-(3-chlorophenyl)-3-[4-methyl-5-(pyrrolidine-1-carbonyl)-1,3-thiazol-2-yl]urea
CID 16897412
1-(4-chlorophenyl)-3-[5-[4-(3-chlorophenyl)piperazine-1-carbonyl]-4-methyl-1,3-thiazol-2-yl]urea
CID 16897565
1-(3-methylphenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea
CID 16897133
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
N-(4-chlorophenyl)-4-methyl-2-(phenylcarbamoylamino)-1,3-thiazole-5-carboxamide
CID 16897056
1-[5-(azepane-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 16897842
[4-methyl-2-(methylamino)-1,3-thiazol-5-yl]-piperidin-1-ylmethanone
CID 110386308
1-[5-(4-benzylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-(4-fluorophenyl)urea
CID 16897707
1-[5-(4-benzhydrylpiperazine-1-carbonyl)-4-methyl-1,3-thiazol-2-yl]-3-phenylurea
CID 16897004
[2-(4-fluoroanilino)-4-methyl-1,3-thiazol-5-yl]-pyrrolidin-1-ylmethanone
CID 30142399

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea?
The IUPAC name of 1-(4-chlorophenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea (CID 16897556) is 1-(4-chlorophenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea.
What is the SMILES notation for 1-(4-chlorophenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea?
The canonical SMILES for 1-(4-chlorophenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea is Cc1nc(NC(=O)Nc2ccc(Cl)cc2)sc1C(=O)N1CCCCC1.
What is the InChIKey of 1-(4-chlorophenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea?
The InChIKey is VOQUYJOJFTYQOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN4O2S/c1-11-14(15(23)22-9-3-2-4-10-22)25-17(19-11)21-16(24)20-13-7-5-12(18)6-8-13/h5-8H,2-4,9-10H2,1H3,(H2,19,20,21,24).
What are the key properties of 1-(4-chlorophenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea?
1-(4-chlorophenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea has a molecular weight of 378.89 g/mol, XLogP of 4.38, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-[4-methyl-5-(piperidine-1-carbonyl)-1,3-thiazol-2-yl]urea is sourced from PubChem (CID 16897556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).