[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone

C15H18ClN3OS — CID 110114555

IUPAC[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCC(C)(c2ncc(Cl)s2)CC1
InChIInChI=1S/C15H18ClN3OS/c1-15(14-17-10-12(16)21-14)5-8-19(9-6-15)13(20)11-4-3-7-18(11)2/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyVUAFVJFOWBZODQ-UHFFFAOYSA-N
MW323.85 g/mol
LogP3.33
Rot. Bonds2

About [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone

[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 110114555) has the molecular formula C15H18ClN3OS and a molecular weight of 323.85 g/mol. Its IUPAC name is [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

Compound Name[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
PubChem CID110114555
Molecular FormulaC15H18ClN3OS
Molecular Weight323.85 g/mol
Exact Mass323.09
IUPAC Name[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
SMILESCn1cccc1C(=O)N1CCC(C)(c2ncc(Cl)s2)CC1
InChIInChI=1S/C15H18ClN3OS/c1-15(14-17-10-12(16)21-14)5-8-19(9-6-15)13(20)11-4-3-7-18(11)2/h3-4,7,10H,5-6,8-9H2,1-2H3
InChIKeyVUAFVJFOWBZODQ-UHFFFAOYSA-N
XLogP3.33
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.85
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 110114434
[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-pyrimidin-4-ylmethanone
CID 110114517
[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-ethyl-1,2-oxazol-3-yl)methanone
CID 110114565
1-[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-3-thiophen-2-ylpropan-1-one
CID 110114553
1-[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-3-pyridin-3-ylpropan-1-one
CID 110114570
[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(5-propyl-1,2-oxazol-3-yl)methanone
CID 110114552
[4-methyl-4-(5-methyl-1,3-thiazol-2-yl)piperidin-1-yl]-(5-methylthiophen-2-yl)methanone
CID 175659264
[4-[5-(1-methylcyclopropyl)-1H-pyrazol-3-yl]piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 100627053
[4-(3,5-dichlorobenzoyl)piperazin-1-yl]-(1-methylpyrrol-2-yl)methanone
CID 134062270
(1-methylpyrrol-2-yl)-(9-pyridin-4-yl-3,9-diazaspiro[5.5]undecan-3-yl)methanone
CID 3234689
(1,1-dioxo-1,4-thiazinan-4-yl)-(1-methylpyrrol-2-yl)methanone
CID 146123880
[(1R,2R)-1-(dimethylamino)-2-hydroxyspiro[1,2-dihydroindene-3,4'-piperidine]-1'-yl]-(1-methylpyrrol-2-yl)methanone
CID 29254130

Frequently Asked Questions

What is the IUPAC name of [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The IUPAC name of [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone (CID 110114555) is [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone.
What is the SMILES notation for [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The canonical SMILES for [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone is Cn1cccc1C(=O)N1CCC(C)(c2ncc(Cl)s2)CC1.
What is the InChIKey of [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
The InChIKey is VUAFVJFOWBZODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3OS/c1-15(14-17-10-12(16)21-14)5-8-19(9-6-15)13(20)11-4-3-7-18(11)2/h3-4,7,10H,5-6,8-9H2,1-2H3.
What are the key properties of [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone?
[4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 323.85 g/mol, XLogP of 3.33, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-chloro-1,3-thiazol-2-yl)-4-methylpiperidin-1-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 110114555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).