(3R,6R)-1-[(Z)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide

C17H22N4O2S — CID 129433640

IUPAC(3R,6R)-1-[(Z)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
SMILESCc1cn2c(/C=C\C(=O)N3C[C@H](C(N)=O)CC[C@H]3C)c(C)nc2s1
InChIInChI=1S/C17H22N4O2S/c1-10-4-5-13(16(18)23)9-20(10)15(22)7-6-14-12(3)19-17-21(14)8-11(2)24-17/h6-8,10,13H,4-5,9H2,1-3H3,(H2,18,23)/b7-6-/t10-,13-/m1/s1
InChIKeyQTNHLSPCSBCRBR-VVNZAOIASA-N
MW346.46 g/mol
LogP2.14
Rot. Bonds3

About (3R,6R)-1-[(Z)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide

(3R,6R)-1-[(Z)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide (PubChem CID 129433640) has the molecular formula C17H22N4O2S and a molecular weight of 346.46 g/mol. Its IUPAC name is (3R,6R)-1-[(Z)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3R,6R)-1-[(Z)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
PubChem CID129433640
Molecular FormulaC17H22N4O2S
Molecular Weight346.46 g/mol
Exact Mass346.15
IUPAC Name(3R,6R)-1-[(Z)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide
SMILESCc1cn2c(/C=C\C(=O)N3C[C@H](C(N)=O)CC[C@H]3C)c(C)nc2s1
InChIInChI=1S/C17H22N4O2S/c1-10-4-5-13(16(18)23)9-20(10)15(22)7-6-14-12(3)19-17-21(14)8-11(2)24-17/h6-8,10,13H,4-5,9H2,1-3H3,(H2,18,23)/b7-6-/t10-,13-/m1/s1
InChIKeyQTNHLSPCSBCRBR-VVNZAOIASA-N
XLogP2.14
TPSA80.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.46
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,6R)-1-[(Z)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3R,6R)-1-[(Z)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide (CID 129433640) is (3R,6R)-1-[(Z)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3R,6R)-1-[(Z)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3R,6R)-1-[(Z)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide is Cc1cn2c(/C=C\C(=O)N3C[C@H](C(N)=O)CC[C@H]3C)c(C)nc2s1.
What is the InChIKey of (3R,6R)-1-[(Z)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is QTNHLSPCSBCRBR-VVNZAOIASA-N. The full InChI is InChI=1S/C17H22N4O2S/c1-10-4-5-13(16(18)23)9-20(10)15(22)7-6-14-12(3)19-17-21(14)8-11(2)24-17/h6-8,10,13H,4-5,9H2,1-3H3,(H2,18,23)/b7-6-/t10-,13-/m1/s1.
What are the key properties of (3R,6R)-1-[(Z)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide?
(3R,6R)-1-[(Z)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 346.46 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-1-[(Z)-3-(2,6-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)prop-2-enoyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 129433640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).