1-(1-methylpiperidin-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea

C11H18N4OS — CID 11586909

IUPAC1-(1-methylpiperidin-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)NC2CCN(C)CC2)s1
InChIInChI=1S/C11H18N4OS/c1-8-7-12-11(17-8)14-10(16)13-9-3-5-15(2)6-4-9/h7,9H,3-6H2,1-2H3,(H2,12,13,14,16)
InChIKeyDCGDEYKANSZJEW-UHFFFAOYSA-N
MW254.36 g/mol
LogP1.67
Rot. Bonds2

About 1-(1-methylpiperidin-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea

1-(1-methylpiperidin-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea (PubChem CID 11586909) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-(1-methylpiperidin-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-(1-methylpiperidin-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea
PubChem CID11586909
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name1-(1-methylpiperidin-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)NC2CCN(C)CC2)s1
InChIInChI=1S/C11H18N4OS/c1-8-7-12-11(17-8)14-10(16)13-9-3-5-15(2)6-4-9/h7,9H,3-6H2,1-2H3,(H2,12,13,14,16)
InChIKeyDCGDEYKANSZJEW-UHFFFAOYSA-N
XLogP1.67
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]-3-methylpiperazin-1-yl]-N-cyclohexylacetamide
CID 163368465
N-[5-(1-piperidinylmethyl)-1,3-thiazol-2-yl]acetamide
CID 314318
2-[4-[(2-acetamido-1,3-thiazol-5-yl)methyl]piperazin-1-yl]-N-cyclohexylacetamide
CID 163368446
N-(5-methyl-1,3-thiazol-2-yl)-2-piperidin-1-ylacetamide
CID 856406
Methyl 5-(1-piperidinylmethyl)-1,3-thiazol-2-ylcarbamate
CID 822777
N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 47197229
1-[(2-acetamido-1,3-thiazol-5-yl)methyl]-N-cyclohexylpiperidine-4-carboxamide
CID 163368433
N-{5-[(4-methylpiperidyl)methyl]-1,3-thiazol-2-yl}acetamide
CID 671270
2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)propanamide
CID 3229459
N-(5-methyl-1,3-thiazol-2-yl)azepane-1-carboxamide
CID 47197239
2-(4-methylpiperazin-1-yl)-N-(5-methyl-1,3-thiazol-2-yl)acetamide
CID 66573013
N-(5-methyl-1,3-thiazol-2-yl)-4-(2-oxopiperidin-1-yl)piperidine-1-carboxamide
CID 71916802

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpiperidin-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-(1-methylpiperidin-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea (CID 11586909) is 1-(1-methylpiperidin-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-(1-methylpiperidin-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-(1-methylpiperidin-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea is Cc1cnc(NC(=O)NC2CCN(C)CC2)s1.
What is the InChIKey of 1-(1-methylpiperidin-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is DCGDEYKANSZJEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-8-7-12-11(17-8)14-10(16)13-9-3-5-15(2)6-4-9/h7,9H,3-6H2,1-2H3,(H2,12,13,14,16).
What are the key properties of 1-(1-methylpiperidin-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea?
1-(1-methylpiperidin-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea has a molecular weight of 254.36 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpiperidin-4-yl)-3-(5-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 11586909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).