N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide

C21H27N5O4S3 — CID 23734408

IUPACN-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide
SMILESCSc1nsc(SC)c1C(=O)NC1(C(=O)N2CCN(C(=O)c3ccco3)CC2)CCNCC1
InChIInChI=1S/C21H27N5O4S3/c1-31-17-15(19(32-2)33-24-17)16(27)23-21(5-7-22-8-6-21)20(29)26-11-9-25(10-12-26)18(28)14-4-3-13-30-14/h3-4,13,22H,5-12H2,1-2H3,(H,23,27)
InChIKeyOVLUAKIFXDLQJU-UHFFFAOYSA-N
MW509.68 g/mol
LogP2.02
Rot. Bonds6

About N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide

N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide (PubChem CID 23734408) has the molecular formula C21H27N5O4S3 and a molecular weight of 509.68 g/mol. Its IUPAC name is N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide
PubChem CID23734408
Molecular FormulaC21H27N5O4S3
Molecular Weight509.68 g/mol
Exact Mass509.12
IUPAC NameN-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide
SMILESCSc1nsc(SC)c1C(=O)NC1(C(=O)N2CCN(C(=O)c3ccco3)CC2)CCNCC1
InChIInChI=1S/C21H27N5O4S3/c1-31-17-15(19(32-2)33-24-17)16(27)23-21(5-7-22-8-6-21)20(29)26-11-9-25(10-12-26)18(28)14-4-3-13-30-14/h3-4,13,22H,5-12H2,1-2H3,(H,23,27)
InChIKeyOVLUAKIFXDLQJU-UHFFFAOYSA-N
XLogP2.02
TPSA107.78 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500509.68
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide with MolForge

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Related Compounds

furan-2-yl-[4-(4-pyrazol-1-ylpiperidine-4-carbonyl)piperazin-1-yl]methanone;hydrochloride
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N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-2-[(5-oxo-4H-1,3,4-benzoxadiazepin-2-yl)methylsulfanyl]acetamide
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CID 110906971
[4-(3-azaspiro[5.5]undecan-9-yl)piperazin-1-yl]-(furan-2-yl)methanone
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[4-[3-[(4-fluorophenyl)methyl]-1,2,4-thiadiazol-5-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 3928427
[4-(furan-2-carbonyl)piperazin-1-yl]-(2-methylsulfanylphenyl)methanone
CID 34469189
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CID 133466368
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CID 56881949
furan-2-yl-[4-(1-thiophen-2-ylcyclopropanecarbonyl)piperazin-1-yl]methanone
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Frequently Asked Questions

What is the IUPAC name of N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide?
The IUPAC name of N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide (CID 23734408) is N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide.
What is the SMILES notation for N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide?
The canonical SMILES for N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide is CSc1nsc(SC)c1C(=O)NC1(C(=O)N2CCN(C(=O)c3ccco3)CC2)CCNCC1.
What is the InChIKey of N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide?
The InChIKey is OVLUAKIFXDLQJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N5O4S3/c1-31-17-15(19(32-2)33-24-17)16(27)23-21(5-7-22-8-6-21)20(29)26-11-9-25(10-12-26)18(28)14-4-3-13-30-14/h3-4,13,22H,5-12H2,1-2H3,(H,23,27).
What are the key properties of N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide?
N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide has a molecular weight of 509.68 g/mol, XLogP of 2.02, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-(furan-2-carbonyl)piperazine-1-carbonyl]piperidin-4-yl]-3,5-bis(methylsulfanyl)-1,2-thiazole-4-carboxamide is sourced from PubChem (CID 23734408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).