1-[(3S)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea

C11H18N4OS — CID 88577489

IUPAC1-[(3S)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)N[C@H]2CCCN(C)C2)s1
InChIInChI=1S/C11H18N4OS/c1-8-6-12-11(17-8)14-10(16)13-9-4-3-5-15(2)7-9/h6,9H,3-5,7H2,1-2H3,(H2,12,13,14,16)/t9-/m0/s1
InChIKeyWWFSINDUCAXHDO-VIFPVBQESA-N
MW254.36 g/mol
LogP1.67
Rot. Bonds2

About 1-[(3S)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea

1-[(3S)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea (PubChem CID 88577489) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 1-[(3S)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea.

Molecular Properties

Compound Name1-[(3S)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea
PubChem CID88577489
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name1-[(3S)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea
SMILESCc1cnc(NC(=O)N[C@H]2CCCN(C)C2)s1
InChIInChI=1S/C11H18N4OS/c1-8-6-12-11(17-8)14-10(16)13-9-4-3-5-15(2)7-9/h6,9H,3-5,7H2,1-2H3,(H2,12,13,14,16)/t9-/m0/s1
InChIKeyWWFSINDUCAXHDO-VIFPVBQESA-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

N-(5-Methyl-thiazol-2-yl)-2-piperidin-1-yl-acetamide
CID 23724323
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
N-[2-[2-(4-propylpiperazin-1-yl)-1,3-thiazol-5-yl]ethyl]formamide;hydrobromide
CID 44593265
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
N-(5-methyl-1,3-thiazol-2-yl)pyrrolidine-1-carboxamide
CID 47197229
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
1-(1-Cyclopentylpiperidin-4-yl)-3-(5-ethyl-1,3-thiazol-2-yl)urea
CID 71978932

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The IUPAC name of 1-[(3S)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea (CID 88577489) is 1-[(3S)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea.
What is the SMILES notation for 1-[(3S)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The canonical SMILES for 1-[(3S)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea is Cc1cnc(NC(=O)N[C@H]2CCCN(C)C2)s1.
What is the InChIKey of 1-[(3S)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
The InChIKey is WWFSINDUCAXHDO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H18N4OS/c1-8-6-12-11(17-8)14-10(16)13-9-4-3-5-15(2)7-9/h6,9H,3-5,7H2,1-2H3,(H2,12,13,14,16)/t9-/m0/s1.
What are the key properties of 1-[(3S)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea?
1-[(3S)-1-methylpiperidin-3-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-[(3S)-1-methylpiperidin-3-yl]-3-(5-methyl-1,3-thiazol-2-yl)urea is sourced from PubChem (CID 88577489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).