1-methyl-3-(5-methyl-1,3-thiazol-2-yl)-1-(1-pent-1-en-2-ylpiperidin-4-yl)urea

C16H26N4OS — CID 163494286

IUPAC1-methyl-3-(5-methyl-1,3-thiazol-2-yl)-1-(1-pent-1-en-2-ylpiperidin-4-yl)urea
SMILESC=C(CCC)N1CCC(N(C)C(=O)Nc2ncc(C)s2)CC1
InChIInChI=1S/C16H26N4OS/c1-5-6-12(2)20-9-7-14(8-10-20)19(4)16(21)18-15-17-11-13(3)22-15/h11,14H,2,5-10H2,1,3-4H3,(H,17,18,21)
InChIKeyCPIUEUOQPYXSOK-UHFFFAOYSA-N
MW322.48 g/mol
LogP3.69
Rot. Bonds5

About 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)-1-(1-pent-1-en-2-ylpiperidin-4-yl)urea

1-methyl-3-(5-methyl-1,3-thiazol-2-yl)-1-(1-pent-1-en-2-ylpiperidin-4-yl)urea (PubChem CID 163494286) has the molecular formula C16H26N4OS and a molecular weight of 322.48 g/mol. Its IUPAC name is 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)-1-(1-pent-1-en-2-ylpiperidin-4-yl)urea.

Molecular Properties

Compound Name1-methyl-3-(5-methyl-1,3-thiazol-2-yl)-1-(1-pent-1-en-2-ylpiperidin-4-yl)urea
PubChem CID163494286
Molecular FormulaC16H26N4OS
Molecular Weight322.48 g/mol
Exact Mass322.18
IUPAC Name1-methyl-3-(5-methyl-1,3-thiazol-2-yl)-1-(1-pent-1-en-2-ylpiperidin-4-yl)urea
SMILESC=C(CCC)N1CCC(N(C)C(=O)Nc2ncc(C)s2)CC1
InChIInChI=1S/C16H26N4OS/c1-5-6-12(2)20-9-7-14(8-10-20)19(4)16(21)18-15-17-11-13(3)22-15/h11,14H,2,5-10H2,1,3-4H3,(H,17,18,21)
InChIKeyCPIUEUOQPYXSOK-UHFFFAOYSA-N
XLogP3.69
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.48
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)-1-(1-pent-1-en-2-ylpiperidin-4-yl)urea with MolForge

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Related Compounds

N-cyclopropyl-N-[2-[(5-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]butanamide
CID 4052980
2-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]acetic acid
CID 43135843
N-(5-methyl-1,3-thiazol-2-yl)cyclopropanecarboxamide
CID 3432578
1,1,3-trimethyl-3-[1-(5-methyl-1,3-thiazol-2-yl)piperidin-4-yl]urea
CID 166603326
N-(5-methyl-1,3-thiazol-2-yl)-1-propanoylpiperidine-2-carboxamide
CID 47259825
2-[cyclopropyl(methylsulfonyl)amino]-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 42664152
N-(5-methyl-1,3-thiazol-2-yl)-1-(2-phenoxyacetyl)piperidine-4-carboxamide
CID 46409352
N-(5-methyl-1,3-thiazol-2-yl)-1-sulfamoylpiperidine-4-carboxamide
CID 47158637
4-[cyclohexyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]cyclohexane-1-carboxylic acid
CID 87412592
(2R)-1-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]pyrrolidine-2-carboxylic acid
CID 55150045
4-(3,5-dioxomorpholin-4-yl)-N-(5-methyl-1,3-thiazol-2-yl)piperidine-1-carboxamide
CID 138988958
2-methyl-3-[methyl-[(5-methyl-1,3-thiazol-2-yl)carbamoyl]amino]propanoic acid
CID 55007172

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)-1-(1-pent-1-en-2-ylpiperidin-4-yl)urea?
The IUPAC name of 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)-1-(1-pent-1-en-2-ylpiperidin-4-yl)urea (CID 163494286) is 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)-1-(1-pent-1-en-2-ylpiperidin-4-yl)urea.
What is the SMILES notation for 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)-1-(1-pent-1-en-2-ylpiperidin-4-yl)urea?
The canonical SMILES for 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)-1-(1-pent-1-en-2-ylpiperidin-4-yl)urea is C=C(CCC)N1CCC(N(C)C(=O)Nc2ncc(C)s2)CC1.
What is the InChIKey of 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)-1-(1-pent-1-en-2-ylpiperidin-4-yl)urea?
The InChIKey is CPIUEUOQPYXSOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4OS/c1-5-6-12(2)20-9-7-14(8-10-20)19(4)16(21)18-15-17-11-13(3)22-15/h11,14H,2,5-10H2,1,3-4H3,(H,17,18,21).
What are the key properties of 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)-1-(1-pent-1-en-2-ylpiperidin-4-yl)urea?
1-methyl-3-(5-methyl-1,3-thiazol-2-yl)-1-(1-pent-1-en-2-ylpiperidin-4-yl)urea has a molecular weight of 322.48 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methyl-1,3-thiazol-2-yl)-1-(1-pent-1-en-2-ylpiperidin-4-yl)urea is sourced from PubChem (CID 163494286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).