1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-3-ylurea;hydrochloride

C10H17ClN4OS — CID 87173211

IUPAC1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-3-ylurea;hydrochloride
SMILESCc1csc(NC(=O)NC2CCCNC2)n1.Cl
InChIInChI=1S/C10H16N4OS.ClH/c1-7-6-16-10(12-7)14-9(15)13-8-3-2-4-11-5-8;/h6,8,11H,2-5H2,1H3,(H2,12,13,14,15);1H
InChIKeyPWNNKOOBZHHKEE-UHFFFAOYSA-N
MW276.79 g/mol
LogP1.75
Rot. Bonds2

About 1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-3-ylurea;hydrochloride

1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-3-ylurea;hydrochloride (PubChem CID 87173211) has the molecular formula C10H17ClN4OS and a molecular weight of 276.79 g/mol. Its IUPAC name is 1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-3-ylurea;hydrochloride.

Molecular Properties

Compound Name1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-3-ylurea;hydrochloride
PubChem CID87173211
Molecular FormulaC10H17ClN4OS
Molecular Weight276.79 g/mol
Exact Mass276.08
IUPAC Name1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-3-ylurea;hydrochloride
SMILESCc1csc(NC(=O)NC2CCCNC2)n1.Cl
InChIInChI=1S/C10H16N4OS.ClH/c1-7-6-16-10(12-7)14-9(15)13-8-3-2-4-11-5-8;/h6,8,11H,2-5H2,1H3,(H2,12,13,14,15);1H
InChIKeyPWNNKOOBZHHKEE-UHFFFAOYSA-N
XLogP1.75
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.79
LogP ≤ 51.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 4129191
1-(4-tert-butyl-1,3-thiazol-2-yl)-3-pyrrolidin-3-ylurea;hydrochloride
CID 53406202
N-(4-methyl-1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 18072813
2,2-dimethyl-N-[4-[2-oxo-2-(piperidin-3-ylamino)ethyl]-1,3-thiazol-2-yl]propanamide;dihydrochloride
CID 119426693
N-cycloheptyl-N'-(4-methyl-1,3-thiazol-2-yl)oxamide
CID 44997302
2-[methyl(pyrrolidin-3-yl)amino]-N-(4-methyl-1,3-thiazol-2-yl)acetamide;hydrochloride
CID 119922868
1-(2-ethylcyclohexyl)-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 78871885
1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]-3-(4-methyl-1,3-thiazol-2-yl)urea
CID 78871900
4-(cyclohexylcarbamoylamino)-N-(4-methyl-1,3-thiazol-2-yl)butanamide
CID 16622522
5-methyl-N-(4-methyl-1,3-thiazol-2-yl)-1-piperidin-4-yltriazole-4-carboxamide
CID 119673371
ethane;N-(4-methyl-1,3-thiazol-2-yl)cyclohexanecarboxamide
CID 143608697
1-cyclopropyl-3-piperidin-3-ylurea
CID 62699673

Frequently Asked Questions

What is the IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-3-ylurea;hydrochloride?
The IUPAC name of 1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-3-ylurea;hydrochloride (CID 87173211) is 1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-3-ylurea;hydrochloride.
What is the SMILES notation for 1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-3-ylurea;hydrochloride?
The canonical SMILES for 1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-3-ylurea;hydrochloride is Cc1csc(NC(=O)NC2CCCNC2)n1.Cl.
What is the InChIKey of 1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-3-ylurea;hydrochloride?
The InChIKey is PWNNKOOBZHHKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4OS.ClH/c1-7-6-16-10(12-7)14-9(15)13-8-3-2-4-11-5-8;/h6,8,11H,2-5H2,1H3,(H2,12,13,14,15);1H.
What are the key properties of 1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-3-ylurea;hydrochloride?
1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-3-ylurea;hydrochloride has a molecular weight of 276.79 g/mol, XLogP of 1.75, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methyl-1,3-thiazol-2-yl)-3-piperidin-3-ylurea;hydrochloride is sourced from PubChem (CID 87173211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).