N-[2-[[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfanylpyrrole-3-carboxamide

C17H23N5O2S2 — CID 156819862

IUPACN-[2-[[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfanylpyrrole-3-carboxamide
SMILESCSn1ccc(C(=O)NCC(=O)Nc2nc(C3CCCN(C)C3)cs2)c1
InChIInChI=1S/C17H23N5O2S2/c1-21-6-3-4-12(9-21)14-11-26-17(19-14)20-15(23)8-18-16(24)13-5-7-22(10-13)25-2/h5,7,10-12H,3-4,6,8-9H2,1-2H3,(H,18,24)(H,19,20,23)
InChIKeyDACMDICXDLCSCP-UHFFFAOYSA-N
MW393.54 g/mol
LogP2.25
Rot. Bonds6

About N-[2-[[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfanylpyrrole-3-carboxamide

N-[2-[[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfanylpyrrole-3-carboxamide (PubChem CID 156819862) has the molecular formula C17H23N5O2S2 and a molecular weight of 393.54 g/mol. Its IUPAC name is N-[2-[[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfanylpyrrole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfanylpyrrole-3-carboxamide
PubChem CID156819862
Molecular FormulaC17H23N5O2S2
Molecular Weight393.54 g/mol
Exact Mass393.13
IUPAC NameN-[2-[[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfanylpyrrole-3-carboxamide
SMILESCSn1ccc(C(=O)NCC(=O)Nc2nc(C3CCCN(C)C3)cs2)c1
InChIInChI=1S/C17H23N5O2S2/c1-21-6-3-4-12(9-21)14-11-26-17(19-14)20-15(23)8-18-16(24)13-5-7-22(10-13)25-2/h5,7,10-12H,3-4,6,8-9H2,1-2H3,(H,18,24)(H,19,20,23)
InChIKeyDACMDICXDLCSCP-UHFFFAOYSA-N
XLogP2.25
TPSA79.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.54
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[[4-[3-(4-hydroxycyclohexyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfanylpyrrole-3-carboxamide
CID 154668121
propyl 5-[2-[[2-[(1-methylsulfonylpyrrole-3-carbonyl)amino]acetyl]amino]-1,3-thiazol-4-yl]cyclooctane-1-carboxylate
CID 154668386
N-[2-[[4-[3-(3-hydroxypiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 154668876
1-methyl-N-[2-oxo-2-[(4-phenyl-1,3-thiazol-2-yl)amino]ethyl]pyrrole-3-carboxamide
CID 154667811
N-[2-[[4-[3-(4-hydroxy-3-methylpiperidin-1-yl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 154668263
N-(4-cyclohexyl-1,3-thiazol-2-yl)propanamide
CID 5141035
N-[2-[[4-[1-[11-[[2-(2,6-dioxopiperidin-3-yl)-1,3-dioxoisoindol-5-yl]amino]undecanoyl]piperidin-3-yl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide
CID 156820585
N-(4-cyclopropyl-1,3-thiazol-2-yl)-2-(propan-2-ylamino)acetamide
CID 61482373
1-methyl-N-[2-oxo-2-[[4-[3-[[(3S)-oxolan-3-yl]methoxy]phenyl]-1,3-thiazol-2-yl]amino]ethyl]pyrrole-3-carboxamide
CID 154668170
N-[2-[[4-[3-[(3S)-3-(methoxymethyl)piperidin-1-yl]phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfonylpyrrole-3-carboxamide
CID 154667879
N-[2-[[4-[3-(2,6-dimethyl-4-pyridinyl)phenyl]-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylpyrrole-3-carboxamide
CID 155037029
N-(4-cyclopropyl-1,3-thiazol-2-yl)-3-methylpiperidine-1-carboxamide
CID 47200519

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfanylpyrrole-3-carboxamide?
The IUPAC name of N-[2-[[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfanylpyrrole-3-carboxamide (CID 156819862) is N-[2-[[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfanylpyrrole-3-carboxamide.
What is the SMILES notation for N-[2-[[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfanylpyrrole-3-carboxamide?
The canonical SMILES for N-[2-[[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfanylpyrrole-3-carboxamide is CSn1ccc(C(=O)NCC(=O)Nc2nc(C3CCCN(C)C3)cs2)c1.
What is the InChIKey of N-[2-[[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfanylpyrrole-3-carboxamide?
The InChIKey is DACMDICXDLCSCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2S2/c1-21-6-3-4-12(9-21)14-11-26-17(19-14)20-15(23)8-18-16(24)13-5-7-22(10-13)25-2/h5,7,10-12H,3-4,6,8-9H2,1-2H3,(H,18,24)(H,19,20,23).
What are the key properties of N-[2-[[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfanylpyrrole-3-carboxamide?
N-[2-[[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfanylpyrrole-3-carboxamide has a molecular weight of 393.54 g/mol, XLogP of 2.25, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(1-methylpiperidin-3-yl)-1,3-thiazol-2-yl]amino]-2-oxoethyl]-1-methylsulfanylpyrrole-3-carboxamide is sourced from PubChem (CID 156819862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).