1-[[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]-3-phenylurea

C17H23N5OS — CID 120902751

IUPAC1-[[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]-3-phenylurea
SMILESNc1ncc(CN2CCCCC2CNC(=O)Nc2ccccc2)s1
InChIInChI=1S/C17H23N5OS/c18-16-19-11-15(24-16)12-22-9-5-4-8-14(22)10-20-17(23)21-13-6-2-1-3-7-13/h1-3,6-7,11,14H,4-5,8-10,12H2,(H2,18,19)(H2,20,21,23)
InChIKeyJBDSTTJOADFKQV-UHFFFAOYSA-N
MW345.47 g/mol
LogP2.90
Rot. Bonds5

About 1-[[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]-3-phenylurea

1-[[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]-3-phenylurea (PubChem CID 120902751) has the molecular formula C17H23N5OS and a molecular weight of 345.47 g/mol. Its IUPAC name is 1-[[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]-3-phenylurea.

Molecular Properties

Compound Name1-[[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]-3-phenylurea
PubChem CID120902751
Molecular FormulaC17H23N5OS
Molecular Weight345.47 g/mol
Exact Mass345.16
IUPAC Name1-[[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]-3-phenylurea
SMILESNc1ncc(CN2CCCCC2CNC(=O)Nc2ccccc2)s1
InChIInChI=1S/C17H23N5OS/c18-16-19-11-15(24-16)12-22-9-5-4-8-14(22)10-20-17(23)21-13-6-2-1-3-7-13/h1-3,6-7,11,14H,4-5,8-10,12H2,(H2,18,19)(H2,20,21,23)
InChIKeyJBDSTTJOADFKQV-UHFFFAOYSA-N
XLogP2.90
TPSA83.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.47
LogP ≤ 52.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]propanoic acid
CID 119123950
1-[(1-benzylpiperidin-2-yl)methyl]-3-[(2-methyl-1,3-thiazol-5-yl)methyl]urea
CID 86856600
5-[(2-ethylpyrrolidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 79771907
N-(cyclohexylmethyl)-2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]acetamide
CID 55626345
[(2S)-1-[(2-amino-1,3-thiazol-5-yl)methyl]pyrrolidin-2-yl]methanol;hydrochloride
CID 120899176
3-amino-N-[[1-[(2-cyclobutyl-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]propanamide
CID 120911386
2-[2-[(phenylcarbamoylamino)methyl]piperidin-1-yl]-N-(2-thiophen-2-ylethyl)acetamide
CID 71897626
3-[(1-benzylpyrrolidin-2-yl)methylcarbamoylamino]benzamide
CID 136525958
3-amino-N-[[1-[[2-(dimethylamino)-1,3-thiazol-5-yl]methyl]piperidin-2-yl]methyl]propanamide
CID 120911528
5-[(3-anilinopiperidin-1-yl)methyl]-1,3-thiazol-2-amine
CID 120901186
2-amino-N-[2-(1-benzylpiperidin-2-yl)ethyl]-1,3-thiazole-5-carboxamide
CID 131894060
1-phenyl-3-[(1-pyrido[2,3-b]pyrazin-6-ylpiperidin-2-yl)methyl]urea
CID 133397025

Frequently Asked Questions

What is the IUPAC name of 1-[[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]-3-phenylurea?
The IUPAC name of 1-[[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]-3-phenylurea (CID 120902751) is 1-[[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]-3-phenylurea.
What is the SMILES notation for 1-[[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]-3-phenylurea?
The canonical SMILES for 1-[[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]-3-phenylurea is Nc1ncc(CN2CCCCC2CNC(=O)Nc2ccccc2)s1.
What is the InChIKey of 1-[[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]-3-phenylurea?
The InChIKey is JBDSTTJOADFKQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5OS/c18-16-19-11-15(24-16)12-22-9-5-4-8-14(22)10-20-17(23)21-13-6-2-1-3-7-13/h1-3,6-7,11,14H,4-5,8-10,12H2,(H2,18,19)(H2,20,21,23).
What are the key properties of 1-[[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]-3-phenylurea?
1-[[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]-3-phenylurea has a molecular weight of 345.47 g/mol, XLogP of 2.90, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-[(2-amino-1,3-thiazol-5-yl)methyl]piperidin-2-yl]methyl]-3-phenylurea is sourced from PubChem (CID 120902751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).