5-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide

C20H28N6O3S — CID 10094351

IUPAC5-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide
SMILESCC1CCCCN1CCCNC(=O)Nc1snc(OCc2cccnc2)c1C(N)=O
InChIInChI=1S/C20H28N6O3S/c1-14-6-2-3-10-26(14)11-5-9-23-20(28)24-19-16(17(21)27)18(25-30-19)29-13-15-7-4-8-22-12-15/h4,7-8,12,14H,2-3,5-6,9-11,13H2,1H3,(H2,21,27)(H2,23,24,28)
InChIKeyOXGMMSPGYQRNAR-UHFFFAOYSA-N
MW432.55 g/mol
LogP2.60
Rot. Bonds9

About 5-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide

5-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide (PubChem CID 10094351) has the molecular formula C20H28N6O3S and a molecular weight of 432.55 g/mol. Its IUPAC name is 5-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound Name5-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide
PubChem CID10094351
Molecular FormulaC20H28N6O3S
Molecular Weight432.55 g/mol
Exact Mass432.19
IUPAC Name5-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide
SMILESCC1CCCCN1CCCNC(=O)Nc1snc(OCc2cccnc2)c1C(N)=O
InChIInChI=1S/C20H28N6O3S/c1-14-6-2-3-10-26(14)11-5-9-23-20(28)24-19-16(17(21)27)18(25-30-19)29-13-15-7-4-8-22-12-15/h4,7-8,12,14H,2-3,5-6,9-11,13H2,1H3,(H2,21,27)(H2,23,24,28)
InChIKeyOXGMMSPGYQRNAR-UHFFFAOYSA-N
XLogP2.60
TPSA122.47 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.55
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-[3-(dimethylamino)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide
CID 66679258
5-[2-(2-chlorophenyl)ethylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide
CID 10365483
3-[(2,6-difluoro-4-methylphenyl)methoxy]-5-[2-(2-methylpyrrolidin-1-yl)ethylcarbamoylamino]-1,2-thiazole-4-carboxamide
CID 141230704
3-[[3-(cyclopropylcarbamoyl)-2-fluorophenyl]methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 171829806
3-[[3-(cyclopropylcarbamoyl)-4-fluorophenyl]methoxy]-5-[3-(4-methylpiperazin-1-yl)propylcarbamoylamino]-1,2-thiazole-4-carboxamide
CID 171829613
methyl 3-[(2,6-difluoro-4-methylphenyl)methoxy]-5-[2-(2-methylpyrrolidin-1-yl)ethylcarbamoylamino]-1,2-thiazole-4-carboxylate
CID 141230705
methyl 3-[[3-(cyclopropylcarbamoyl)phenyl]methoxy]-5-(4-pyrrolidin-1-ylbutylcarbamoylamino)-1,2-thiazole-4-carboxylate
CID 171829700
1-(4-aminophenyl)-3-[3-(2-methylpiperidin-1-yl)propyl]urea
CID 43468974
1-[3-[(2R)-2-methylpiperidin-1-yl]propyl]-3-[4-[[4-[3-[(2R)-2-methylpiperidin-1-yl]propylcarbamoylamino]phenyl]methyl]phenyl]urea
CID 124924200
3-[[3-(cyclopropylcarbamoyl)-4-fluorophenyl]methoxy]-5-(3-piperazin-1-ylpropylcarbamoylamino)-1,2-thiazole-4-carboxamide
CID 171829727
3-[(3,6-difluoro-6-methylcyclohexa-2,4-dien-1-yl)methoxy]-5-[4-[2-(hydroxymethyl)pyrrolidin-1-yl]butylcarbamoylamino]-1,2-thiazole-4-carboxamide
CID 154429870
3-amino-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 104740859

Frequently Asked Questions

What is the IUPAC name of 5-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide?
The IUPAC name of 5-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide (CID 10094351) is 5-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for 5-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide?
The canonical SMILES for 5-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide is CC1CCCCN1CCCNC(=O)Nc1snc(OCc2cccnc2)c1C(N)=O.
What is the InChIKey of 5-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide?
The InChIKey is OXGMMSPGYQRNAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N6O3S/c1-14-6-2-3-10-26(14)11-5-9-23-20(28)24-19-16(17(21)27)18(25-30-19)29-13-15-7-4-8-22-12-15/h4,7-8,12,14H,2-3,5-6,9-11,13H2,1H3,(H2,21,27)(H2,23,24,28).
What are the key properties of 5-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide?
5-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide has a molecular weight of 432.55 g/mol, XLogP of 2.60, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(2-methylpiperidin-1-yl)propylcarbamoylamino]-3-(pyridin-3-ylmethoxy)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 10094351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).