N-[3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]phenyl]propanamide

C17H22N4OS — CID 75516708

IUPACN-[3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC2CCN(c3nccs3)CC2)c1
InChIInChI=1S/C17H22N4OS/c1-2-16(22)20-15-5-3-4-14(12-15)19-13-6-9-21(10-7-13)17-18-8-11-23-17/h3-5,8,11-13,19H,2,6-7,9-10H2,1H3,(H,20,22)
InChIKeyIQUNZZOLLWOXCT-UHFFFAOYSA-N
MW330.46 g/mol
LogP3.57
Rot. Bonds5

About N-[3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]phenyl]propanamide

N-[3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]phenyl]propanamide (PubChem CID 75516708) has the molecular formula C17H22N4OS and a molecular weight of 330.46 g/mol. Its IUPAC name is N-[3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]phenyl]propanamide.

Molecular Properties

Compound NameN-[3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]phenyl]propanamide
PubChem CID75516708
Molecular FormulaC17H22N4OS
Molecular Weight330.46 g/mol
Exact Mass330.15
IUPAC NameN-[3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]phenyl]propanamide
SMILESCCC(=O)Nc1cccc(NC2CCN(c3nccs3)CC2)c1
InChIInChI=1S/C17H22N4OS/c1-2-16(22)20-15-5-3-4-14(12-15)19-13-6-9-21(10-7-13)17-18-8-11-23-17/h3-5,8,11-13,19H,2,6-7,9-10H2,1H3,(H,20,22)
InChIKeyIQUNZZOLLWOXCT-UHFFFAOYSA-N
XLogP3.57
TPSA57.26 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.46
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[3-[(4-propan-2-ylcyclohexyl)amino]phenyl]propanamide
CID 62702824
2-[[amino-[4-(1,3-thiazol-2-yl)piperazin-1-yl]methylidene]amino]-N-(3-ethylphenyl)acetamide;hydroiodide
CID 111093926
ethyl 4-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]piperidine-1-carboxylate
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1-phenyl-3-[(3R)-1-(1,3-thiazol-2-yl)pyrrolidin-3-yl]urea
CID 99875460
3-(3-methylthiophen-2-yl)-N-[1-(1,3-thiazol-2-yl)piperidin-4-yl]propanamide
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1-[(1R)-1-pyridin-4-ylpropyl]-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
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CID 157313637
1-(4-chlorophenyl)-3-[1-(1,3-thiazol-2-yl)piperidin-4-yl]urea
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N-[4-[[1-(pyridin-4-ylmethyl)piperidin-4-yl]amino]phenyl]propanamide
CID 75472607
2-pentan-3-yloxy-6-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]pyrimidine-4-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]phenyl]propanamide?
The IUPAC name of N-[3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]phenyl]propanamide (CID 75516708) is N-[3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]phenyl]propanamide.
What is the SMILES notation for N-[3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]phenyl]propanamide?
The canonical SMILES for N-[3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]phenyl]propanamide is CCC(=O)Nc1cccc(NC2CCN(c3nccs3)CC2)c1.
What is the InChIKey of N-[3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]phenyl]propanamide?
The InChIKey is IQUNZZOLLWOXCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4OS/c1-2-16(22)20-15-5-3-4-14(12-15)19-13-6-9-21(10-7-13)17-18-8-11-23-17/h3-5,8,11-13,19H,2,6-7,9-10H2,1H3,(H,20,22).
What are the key properties of N-[3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]phenyl]propanamide?
N-[3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]phenyl]propanamide has a molecular weight of 330.46 g/mol, XLogP of 3.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-(1,3-thiazol-2-yl)piperidin-4-yl]amino]phenyl]propanamide is sourced from PubChem (CID 75516708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).