1-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea

C19H25ClN4O3S — CID 53187044

IUPAC1-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea
SMILESCC1=C(c2cccc(Cl)c2)S(=O)(=O)N=C1N1CCC(NC(=O)NC(C)C)CC1
InChIInChI=1S/C19H25ClN4O3S/c1-12(2)21-19(25)22-16-7-9-24(10-8-16)18-13(3)17(28(26,27)23-18)14-5-4-6-15(20)11-14/h4-6,11-12,16H,7-10H2,1-3H3,(H2,21,22,25)
InChIKeyLWPBYJKXDRTRDE-UHFFFAOYSA-N
MW424.95 g/mol
LogP2.98
Rot. Bonds3

About 1-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea

1-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea (PubChem CID 53187044) has the molecular formula C19H25ClN4O3S and a molecular weight of 424.95 g/mol. Its IUPAC name is 1-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea.

Molecular Properties

Compound Name1-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea
PubChem CID53187044
Molecular FormulaC19H25ClN4O3S
Molecular Weight424.95 g/mol
Exact Mass424.13
IUPAC Name1-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea
SMILESCC1=C(c2cccc(Cl)c2)S(=O)(=O)N=C1N1CCC(NC(=O)NC(C)C)CC1
InChIInChI=1S/C19H25ClN4O3S/c1-12(2)21-19(25)22-16-7-9-24(10-8-16)18-13(3)17(28(26,27)23-18)14-5-4-6-15(20)11-14/h4-6,11-12,16H,7-10H2,1-3H3,(H2,21,22,25)
InChIKeyLWPBYJKXDRTRDE-UHFFFAOYSA-N
XLogP2.98
TPSA90.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]furan-3-carboxamide
CID 53171415
1-[1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea
CID 53187057
methyl 2-[[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]carbamoylamino]propanoate
CID 53186992
1-cyclohexyl-3-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]urea
CID 53187036
5-(3-chlorophenyl)-4-methyl-3-(4-methylpiperazin-1-yl)-1,2-thiazole 1,1-dioxide
CID 22512367
1-butan-2-yl-3-[1-[5-(4-fluorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]urea
CID 53187039
N-[1-(4-methyl-1,1-dioxo-5-phenyl-1,2-thiazol-3-yl)piperidin-4-yl]-2-phenylpropanamide
CID 53171349
(2S)-2-methyl-N-[1-[4-methyl-1,1-dioxo-5-(4-propan-2-ylphenyl)-1,2-thiazol-3-yl]piperidin-4-yl]butanamide
CID 95102098
N-[1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]pyridine-2-carboxamide
CID 53171324
N-[1-[5-(4-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]pyridine-3-carboxamide
CID 53171326
5-(3-chlorophenyl)-3-(4-ethylsulfonyl-1,4-diazepan-1-yl)-4-methyl-1,2-thiazole 1,1-dioxide
CID 53187186
1-[4-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]-1,4-diazepan-1-yl]-3-methoxypropan-1-one
CID 53171648

Frequently Asked Questions

What is the IUPAC name of 1-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea?
The IUPAC name of 1-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea (CID 53187044) is 1-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea.
What is the SMILES notation for 1-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea?
The canonical SMILES for 1-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea is CC1=C(c2cccc(Cl)c2)S(=O)(=O)N=C1N1CCC(NC(=O)NC(C)C)CC1.
What is the InChIKey of 1-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea?
The InChIKey is LWPBYJKXDRTRDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25ClN4O3S/c1-12(2)21-19(25)22-16-7-9-24(10-8-16)18-13(3)17(28(26,27)23-18)14-5-4-6-15(20)11-14/h4-6,11-12,16H,7-10H2,1-3H3,(H2,21,22,25).
What are the key properties of 1-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea?
1-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea has a molecular weight of 424.95 g/mol, XLogP of 2.98, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[5-(3-chlorophenyl)-4-methyl-1,1-dioxo-1,2-thiazol-3-yl]piperidin-4-yl]-3-propan-2-ylurea is sourced from PubChem (CID 53187044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).